N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

C18H15N5OS2 — CID 86825664

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ncc(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1
InChIInChI=1S/C18H15N5OS2/c1-12-19-10-14(26-12)11-20-18(24)16-21-17(15-8-5-9-25-15)23(22-16)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,24)
InChIKeyUKPTVCZUXQZYOU-UHFFFAOYSA-N
MW381.49 g/mol
LogP3.69
Rot. Bonds5

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (PubChem CID 86825664) has the molecular formula C18H15N5OS2 and a molecular weight of 381.49 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
PubChem CID86825664
Molecular FormulaC18H15N5OS2
Molecular Weight381.49 g/mol
Exact Mass381.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
SMILESCc1ncc(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1
InChIInChI=1S/C18H15N5OS2/c1-12-19-10-14(26-12)11-20-18(24)16-21-17(15-8-5-9-25-15)23(22-16)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,24)
InChIKeyUKPTVCZUXQZYOU-UHFFFAOYSA-N
XLogP3.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.49
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 48503702
N-[(2-ethoxy-4-pyridinyl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55707504
methyl 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate
CID 13411643
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55526538
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55614002
1-phenyl-5-thiophen-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,2,4-triazole-3-carboxamide
CID 55720490
N'-[2-(4-methylanilino)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505843
N-methoxy-N-methyl-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 46577778
N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 99809348
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 102556248
N'-[2-(2-ethoxyphenoxy)acetyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carbohydrazide
CID 55505919
N-(4-methylsulfonylphenyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 55504619

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide (CID 86825664) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is Cc1ncc(CNC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
The InChIKey is UKPTVCZUXQZYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS2/c1-12-19-10-14(26-12)11-20-18(24)16-21-17(15-8-5-9-25-15)23(22-16)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,20,24).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide has a molecular weight of 381.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 86825664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).