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

C12H11N5O2S2 — CID 83097518

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2sc(-c3ccsc3)nc2C)n1
InChIInChI=1S/C12H11N5O2S2/c1-6-8(21-10(13-6)7-3-4-20-5-7)9(18)14-11-15-12(19-2)17-16-11/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyJUUBETPOMGPQSU-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.56
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 83097518) has the molecular formula C12H11N5O2S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID83097518
Molecular FormulaC12H11N5O2S2
Molecular Weight321.39 g/mol
Exact Mass321.04
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1n[nH]c(NC(=O)c2sc(-c3ccsc3)nc2C)n1
InChIInChI=1S/C12H11N5O2S2/c1-6-8(21-10(13-6)7-3-4-20-5-7)9(18)14-11-15-12(19-2)17-16-11/h3-5H,1-2H3,(H2,14,15,16,17,18)
InChIKeyJUUBETPOMGPQSU-UHFFFAOYSA-N
XLogP2.56
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methoxy-1H-1,2,4-triazol-5-yl)thiophene-3-carboxamide
CID 83092476
4-methyl-N-phenyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 8871070
N-(3,5-dimethylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17497475
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56524507
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 79194223
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methylthiadiazole-5-carboxamide
CID 83101329
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887
N-(5-chloro-2-hydroxyphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 56581492

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 83097518) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is COc1n[nH]c(NC(=O)c2sc(-c3ccsc3)nc2C)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JUUBETPOMGPQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S2/c1-6-8(21-10(13-6)7-3-4-20-5-7)9(18)14-11-15-12(19-2)17-16-11/h3-5H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 83097518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).