N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

C15H15N5OS — CID 95283560

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C15H15N5OS/c1-9-5-3-4-6-11(9)10(2)18-14(21)12-7-22-15(19-12)13-16-8-17-20-13/h3-8,10H,1-2H3,(H,18,21)(H,16,17,20)/t10-/m1/s1
InChIKeyDKJGYDDEVDEBSC-SNVBAGLBSA-N
MW313.39 g/mol
LogP2.73
Rot. Bonds4

About N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide

N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 95283560) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID95283560
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCc1ccccc1[C@@H](C)NC(=O)c1csc(-c2ncn[nH]2)n1
InChIInChI=1S/C15H15N5OS/c1-9-5-3-4-6-11(9)10(2)18-14(21)12-7-22-15(19-12)13-16-8-17-20-13/h3-8,10H,1-2H3,(H,18,21)(H,16,17,20)/t10-/m1/s1
InChIKeyDKJGYDDEVDEBSC-SNVBAGLBSA-N
XLogP2.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95138912
N-[1-(2-methylphenyl)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 43013699
2-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81379895
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95353632
2-(aminomethyl)-N-[(1R)-1-(2-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81375210
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide
CID 95294639
3-amino-N-[(1R)-1-(2-methylphenyl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 81380291
2-(2-methylanilino)-N-(1-phenylethyl)-1,3-thiazole-4-carboxamide
CID 3546065
2,4-dimethyl-N-[1-(2-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 78776283
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
N-[1-(2-methylphenyl)ethyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 24594477
(2S)-3-methyl-2-[[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119360719

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide (CID 95283560) is N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide is Cc1ccccc1[C@@H](C)NC(=O)c1csc(-c2ncn[nH]2)n1.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is DKJGYDDEVDEBSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-9-5-3-4-6-11(9)10(2)18-14(21)12-7-22-15(19-12)13-16-8-17-20-13/h3-8,10H,1-2H3,(H,18,21)(H,16,17,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 313.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95283560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).