N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide

C11H9N5OS2 — CID 99838266

IUPACN-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nc(-c2cccs2)nc1NC(=O)c1cscn1
InChIInChI=1S/C11H9N5OS2/c1-16-11(14-10(17)7-5-18-6-12-7)13-9(15-16)8-3-2-4-19-8/h2-6H,1H3,(H,13,14,15,17)
InChIKeyPDHXOQBWUGJYFJ-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.25
Rot. Bonds3

About N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide

N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 99838266) has the molecular formula C11H9N5OS2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID99838266
Molecular FormulaC11H9N5OS2
Molecular Weight291.36 g/mol
Exact Mass291.02
IUPAC NameN-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCn1nc(-c2cccs2)nc1NC(=O)c1cscn1
InChIInChI=1S/C11H9N5OS2/c1-16-11(14-10(17)7-5-18-6-12-7)13-9(15-16)8-3-2-4-19-8/h2-6H,1H3,(H,13,14,15,17)
InChIKeyPDHXOQBWUGJYFJ-UHFFFAOYSA-N
XLogP2.25
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethyl-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 99838339
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 110932034
2-(2,5-difluorophenyl)-N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)acetamide
CID 99838357
ethyl 2-(1,3-thiazole-4-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylate
CID 84560643
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 155913126
N-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 75521087
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]-1,3-thiazole-4-carboxamide
CID 95791882
N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 62044830
N-(2-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 62046847
N-(3-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 155658858
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-ethylphenyl)-1,3-thiazole-4-carboxamide
CID 62046507

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide (CID 99838266) is N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide is Cn1nc(-c2cccs2)nc1NC(=O)c1cscn1.
What is the InChIKey of N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is PDHXOQBWUGJYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS2/c1-16-11(14-10(17)7-5-18-6-12-7)13-9(15-16)8-3-2-4-19-8/h2-6H,1H3,(H,13,14,15,17).
What are the key properties of N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide?
N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99838266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).