1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide

C12H15N5OS — CID 167917069

IUPAC1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cn(C3CC3)nn2)n1
InChIInChI=1S/C12H15N5OS/c1-7(2)10-6-19-12(13-10)14-11(18)9-5-17(16-15-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14,18)
InChIKeyPYRNUIMFCXULOV-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.45
Rot. Bonds4

About 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide

1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (PubChem CID 167917069) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
PubChem CID167917069
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cn(C3CC3)nn2)n1
InChIInChI=1S/C12H15N5OS/c1-7(2)10-6-19-12(13-10)14-11(18)9-5-17(16-15-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14,18)
InChIKeyPYRNUIMFCXULOV-UHFFFAOYSA-N
XLogP2.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]triazol-1-yl]acetic acid
CID 66289591
1-(4-aminocyclohexyl)-N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]triazole-4-carboxamide
CID 134695815
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 63048047
2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 55115833
1-(1-cyclopropyltriazol-4-yl)-2-methylpropan-1-one
CID 164754371
methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
1-[4-(2,2-dimethylpropanoylamino)cyclohexyl]-N-propan-2-yltriazole-4-carboxamide
CID 42364382
1-acetyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 110246586
1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
CID 107497913
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119694864
N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119687105
N-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 54958477

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide (CID 167917069) is 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is CC(C)c1csc(NC(=O)c2cn(C3CC3)nn2)n1.
What is the InChIKey of 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
The InChIKey is PYRNUIMFCXULOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7(2)10-6-19-12(13-10)14-11(18)9-5-17(16-15-9)8-3-4-8/h5-8H,3-4H2,1-2H3,(H,13,14,18).
What are the key properties of 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide?
1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)triazole-4-carboxamide is sourced from PubChem (CID 167917069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).