N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

C19H15N5OS — CID 2082426

IUPACN-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1
InChIInChI=1S/C19H15N5OS/c1-13-12-26-19(20-13)22-18(25)16-21-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22,25)
InChIKeyUQVHPJOEBDUZIY-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.95
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide

N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (PubChem CID 2082426) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
PubChem CID2082426
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1
InChIInChI=1S/C19H15N5OS/c1-13-12-26-19(20-13)22-18(25)16-21-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22,25)
InChIKeyUQVHPJOEBDUZIY-UHFFFAOYSA-N
XLogP3.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-phenyl-1H-tetrazol-5-yl)thio]-N-(5-phenyl-1,2,4-thiadiazol-3-yl)acetamide
CID 1589754
2-(4-Methyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 647429
2-[5-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 651614
2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-phenyl-2-thiazolyl)acetamide
CID 652564
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(4-phenyl-thiazol-2-yl)-piperazin-1-yl]-acetamide
CID 653565
2-(4-Ethyl-5-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 653847
2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 655607
1-(2,3-Dihydro-indol-1-yl)-2-{4-methyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-ethanone
CID 655791
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1006911
N-Benzyl-2-{4-ethyl-5-[(4-phenyl-thiazol-2-ylamino)-methyl]-4H-[1,2,4]triazol-3-ylsulfanyl}-acetamide
CID 1440557
2-[1-(3,5-Dimethyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-[4-(4-fluoro-phenyl)-thiazol-2-yl]-acetamide
CID 1449684
1,5-diphenyl-N-(1,3-thiazol-2-yl)-1,2,4-triazole-3-carboxamide
CID 2124742

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide (CID 2082426) is N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
The InChIKey is UQVHPJOEBDUZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-13-12-26-19(20-13)22-18(25)16-21-17(14-8-4-2-5-9-14)24(23-16)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,22,25).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide?
N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide has a molecular weight of 361.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-1,5-diphenyl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 2082426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).