2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

C18H13N5OS — CID 30864538

IUPAC2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H13N5OS/c24-16(22-18-19-11-20-23-18)15-14(12-7-3-1-4-8-12)21-17(25-15)13-9-5-2-6-10-13/h1-11H,(H2,19,20,22,23,24)
InChIKeyANWPUKSOOHRLOC-UHFFFAOYSA-N
MW347.40 g/mol
LogP3.85
Rot. Bonds4

About 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide

2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (PubChem CID 30864538) has the molecular formula C18H13N5OS and a molecular weight of 347.40 g/mol. Its IUPAC name is 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
PubChem CID30864538
Molecular FormulaC18H13N5OS
Molecular Weight347.40 g/mol
Exact Mass347.08
IUPAC Name2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ncn[nH]1)c1sc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C18H13N5OS/c24-16(22-18-19-11-20-23-18)15-14(12-7-3-1-4-8-12)21-17(25-15)13-9-5-2-6-10-13/h1-11H,(H2,19,20,22,23,24)
InChIKeyANWPUKSOOHRLOC-UHFFFAOYSA-N
XLogP3.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 9074270
2,4-diphenyl-N-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 9083928
2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 47120010
N,4-diphenyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 17473227
2-chloro-5-phenyl-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 71931815
2-benzyl-5-methyl-4-oxo-N-(1H-1,2,4-triazol-5-yl)-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 30865222
2-(2,4-dimethylphenyl)-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide
CID 51098584
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
4-(4-bromophenyl)-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 131954927
2-(4-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxylic acid
CID 136889078
3-methyl-N-(1H-1,2,4-triazol-5-yl)thiophene-2-carboxamide
CID 4318610
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide (CID 30864538) is 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is O=C(Nc1ncn[nH]1)c1sc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is ANWPUKSOOHRLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5OS/c24-16(22-18-19-11-20-23-18)15-14(12-7-3-1-4-8-12)21-17(25-15)13-9-5-2-6-10-13/h1-11H,(H2,19,20,22,23,24).
What are the key properties of 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide?
2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30864538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).