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

C11H12N2OS2 — CID 2463702

IUPAC5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nccs2)cc1C
InChIInChI=1S/C11H12N2OS2/c1-3-8-7(2)6-9(16-8)10(14)13-11-12-4-5-15-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyQYYWZRBHQBDAFC-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.33
Rot. Bonds3

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

5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 2463702) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID2463702
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1sc(C(=O)Nc2nccs2)cc1C
InChIInChI=1S/C11H12N2OS2/c1-3-8-7(2)6-9(16-8)10(14)13-11-12-4-5-15-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyQYYWZRBHQBDAFC-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
N-2-Thiazolylbenzamide
CID 569547
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
4-Bromo-N-(1,3-thiazol-2-yl)benzamide
CID 603114
5-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2529101
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
N-(5-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2307157
3-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 2370424
3-Chloro-N-(1,3-thiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 606795
2-bromo-N-(1,3-thiazol-2-yl)benzamide
CID 710579
2-Fluoro-N-(1,3-thiazol-2-YL)benzamide
CID 306783

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 2463702) is 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is CCc1sc(C(=O)Nc2nccs2)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QYYWZRBHQBDAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-3-8-7(2)6-9(16-8)10(14)13-11-12-4-5-15-11/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2463702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).