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

C11H12N2OS2 — CID 1246066

IUPAC5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc(C)cs2)s1
InChIInChI=1S/C11H12N2OS2/c1-3-8-4-5-9(16-8)10(14)13-11-12-7(2)6-15-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyVNTNDBBZIGRONQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.33
Rot. Bonds3

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

5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (PubChem CID 1246066) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
PubChem CID1246066
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nc(C)cs2)s1
InChIInChI=1S/C11H12N2OS2/c1-3-8-4-5-9(16-8)10(14)13-11-12-7(2)6-15-11/h4-6H,3H2,1-2H3,(H,12,13,14)
InChIKeyVNTNDBBZIGRONQ-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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide (CID 1246066) is 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is CCc1ccc(C(=O)Nc2nc(C)cs2)s1.
What is the InChIKey of 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is VNTNDBBZIGRONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-3-8-4-5-9(16-8)10(14)13-11-12-7(2)6-15-11/h4-6H,3H2,1-2H3,(H,12,13,14).
What are the key properties of 5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide?
5-ethyl-N-(4-methyl-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-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1246066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).