N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C10H7N3OS2 — CID 79194223

IUPACN-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NC#N
InChIInChI=1S/C10H7N3OS2/c1-6-8(9(14)12-5-11)16-10(13-6)7-2-3-15-4-7/h2-4H,1H3,(H,12,14)
InChIKeyUJKAPCRTZCWOFW-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.39
Rot. Bonds2

About N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 79194223) has the molecular formula C10H7N3OS2 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID79194223
Molecular FormulaC10H7N3OS2
Molecular Weight249.32 g/mol
Exact Mass249.00
IUPAC NameN-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)NC#N
InChIInChI=1S/C10H7N3OS2/c1-6-8(9(14)12-5-11)16-10(13-6)7-2-3-15-4-7/h2-4H,1H3,(H,12,14)
InChIKeyUJKAPCRTZCWOFW-UHFFFAOYSA-N
XLogP2.39
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

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
4-methyl-N-(2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 47119834
N-(2-methoxyethyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 17489055
N-(2-chloroprop-2-enyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115636535
N'-[2-(4-cyanophenoxy)acetyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9085819
N-(3-methoxypropyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 46628023
N-[(2R)-1-hydroxybutan-2-yl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 103920340
N-(2-hydroxy-3-methylbutyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 115744537
4-methyl-N-(3-methyl-2-pyridinyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 35033188
(2S)-2-[(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107564441
N-(3-acetylphenyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 9078887

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 79194223) is N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccsc2)sc1C(=O)NC#N.
What is the InChIKey of N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UJKAPCRTZCWOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS2/c1-6-8(9(14)12-5-11)16-10(13-6)7-2-3-15-4-7/h2-4H,1H3,(H,12,14).
What are the key properties of N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 79194223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).