4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide

C11H12N2OS2 — CID 17190908

IUPAC4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCc1cnc(NC(=O)c2csc(C)c2C)s1
InChIInChI=1S/C11H12N2OS2/c1-6-4-12-11(16-6)13-10(14)9-5-15-8(3)7(9)2/h4-5H,1-3H3,(H,12,13,14)
InChIKeyWDMNGTWARHHTQC-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.38
Rot. Bonds2

About 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide

4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide (PubChem CID 17190908) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
PubChem CID17190908
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
SMILESCc1cnc(NC(=O)c2csc(C)c2C)s1
InChIInChI=1S/C11H12N2OS2/c1-6-4-12-11(16-6)13-10(14)9-5-15-8(3)7(9)2/h4-5H,1-3H3,(H,12,13,14)
InChIKeyWDMNGTWARHHTQC-UHFFFAOYSA-N
XLogP3.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 19580079
5-amino-2,4-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 102704840
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107021003
5-ethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide
CID 3363502
4-fluoro-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 103829649
N-(5-methyl-1,3-thiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 4813517
4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47435879
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
CID 141135963
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide (CID 17190908) is 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide is Cc1cnc(NC(=O)c2csc(C)c2C)s1.
What is the InChIKey of 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
The InChIKey is WDMNGTWARHHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-6-4-12-11(16-6)13-10(14)9-5-15-8(3)7(9)2/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide?
4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(5-methyl-1,3-thiazol-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 17190908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).