2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide

C13H11N5OS — CID 166221899

IUPAC2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn[nH]n1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C13H11N5OS/c19-13(16-11-7-14-18-17-11)10-8-20-12(15-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,16,17,18,19)
InChIKeyGVKBEZFYKAFSEF-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.10
Rot. Bonds4

About 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide

2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 166221899) has the molecular formula C13H11N5OS and a molecular weight of 285.33 g/mol. Its IUPAC name is 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID166221899
Molecular FormulaC13H11N5OS
Molecular Weight285.33 g/mol
Exact Mass285.07
IUPAC Name2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cn[nH]n1)c1csc(Cc2ccccc2)n1
InChIInChI=1S/C13H11N5OS/c19-13(16-11-7-14-18-17-11)10-8-20-12(15-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,16,17,18,19)
InChIKeyGVKBEZFYKAFSEF-UHFFFAOYSA-N
XLogP2.10
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
6-[(2-benzyl-1,3-thiazole-4-carbonyl)amino]hexanoic acid
CID 119220206
2-benzyl-N-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 38764761
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300
2-(ethylamino)-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide
CID 154770631
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-benzyl-N-(2-hydroxy-5-methylphenyl)-1,3-thiazole-4-carboxamide
CID 60561856
2-benzyl-N-quinoxalin-6-yl-1,3-thiazole-4-carboxamide
CID 28731409
2-benzyl-N-pyridin-3-yl-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154885366

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide (CID 166221899) is 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1cn[nH]n1)c1csc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GVKBEZFYKAFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5OS/c19-13(16-11-7-14-18-17-11)10-8-20-12(15-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,14,16,17,18,19).
What are the key properties of 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide?
2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(2H-triazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166221899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).