AI35852
1445950-78-6 | 5-(Propan-2-yl)-1,2,3-thiadiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI35852
ChemicalName
5-(Propan-2-yl)-1,2,3-thiadiazole-4-carboxylic acid
CasNumber
1445950-78-6
MolecularFormula
C6H8N2O2S
MolecularWeight
172.20492000000002
MdlNumber
MFCD22390323
Smiles
CC(c1snnc1C(=O)O)C
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AI35852
ChemicalName: 5-(Propan-2-yl)-1,2,3-thiadiazole-4-carboxylic acid
CasNumber: 1445950-78-6
MolecularFormula: C6H8N2O2S
MolecularWeight: 172.20492000000002
MdlNumber: MFCD22390323
Smiles: CC(c1snnc1C(=O)O)C
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AI35852
ChemicalName:
5-(Propan-2-yl)-1,2,3-thiadiazole-4-carboxylic acid
CasNumber:
1445950-78-6
MolecularFormula:
C6H8N2O2S
MolecularWeight:
172.20492000000002
MdlNumber:
MFCD22390323
Smiles:
CC(c1snnc1C(=O)O)C
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AI35853
ChemicalName: tert-Butyl 9-(hydroxymethyl)-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CasNumber: 1445950-79-7
MolecularFormula: C13H22N2O4
MolecularWeight: 270.3248
MdlNumber: MFCD25509370
Smiles: OCC1C(=O)NCC21CCN(C2)C(=O)OC(C)(C)C
Complexity: 391
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.3
CatalogNumber:
AI35853
ChemicalName:
tert-Butyl 9-(hydroxymethyl)-8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
CasNumber:
1445950-79-7
MolecularFormula:
C13H22N2O4
MolecularWeight:
270.3248
MdlNumber:
MFCD25509370
Smiles:
OCC1C(=O)NCC21CCN(C2)C(=O)OC(C)(C)C
Complexity:
391
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.3
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Smiles: OC(=O)c1cn(c(c1)C)C
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Smiles: OCC1CN(Cc2c1n(C)cn2)C(=O)OC(C)(C)C
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Smiles:
OCC1CN(Cc2c1n(C)cn2)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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