2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C16H17N5OS — CID 72882431

IUPAC2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2ccccc2-n2cncn2)cs1
InChIInChI=1S/C16H17N5OS/c1-2-5-15-20-13(9-23-15)16(22)18-8-12-6-3-4-7-14(12)21-11-17-10-19-21/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,18,22)
InChIKeyHLKCIOHRBIOZIS-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.61
Rot. Bonds6

About 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 72882431) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID72882431
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2ccccc2-n2cncn2)cs1
InChIInChI=1S/C16H17N5OS/c1-2-5-15-20-13(9-23-15)16(22)18-8-12-6-3-4-7-14(12)21-11-17-10-19-21/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,18,22)
InChIKeyHLKCIOHRBIOZIS-UHFFFAOYSA-N
XLogP2.61
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]thiadiazole-5-carboxamide
CID 91783113
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CID 56756653
2-(2-methylpropyl)-N-[[3-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 136526414
2-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-benzoxazole-5-carboxamide
CID 42526249
2-(2-aminoethyl)-N-[[2-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640468
N-(1,3-benzodioxol-5-ylmethyl)-2-propyl-1,3-thiazole-4-carboxamide
CID 72911057
(2R)-2-naphthalen-2-yloxy-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propanamide
CID 97136134
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997
1-piperidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 91774810
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
N-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 97136781

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 72882431) is 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCc2ccccc2-n2cncn2)cs1.
What is the InChIKey of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HLKCIOHRBIOZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-5-15-20-13(9-23-15)16(22)18-8-12-6-3-4-7-14(12)21-11-17-10-19-21/h3-4,6-7,9-11H,2,5,8H2,1H3,(H,18,22).
What are the key properties of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72882431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).