3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide

C16H14N2O2S2 — CID 52671085

IUPAC3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C16H14N2O2S2/c1-10-9-17-16(21-10)18-15(19)14-12(20-2)8-13(22-14)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyUIVXKTODLXATEA-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.44
Rot. Bonds4

About 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide

3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide (PubChem CID 52671085) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide
PubChem CID52671085
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide
SMILESCOc1cc(-c2ccccc2)sc1C(=O)Nc1ncc(C)s1
InChIInChI=1S/C16H14N2O2S2/c1-10-9-17-16(21-10)18-15(19)14-12(20-2)8-13(22-14)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,18,19)
InChIKeyUIVXKTODLXATEA-UHFFFAOYSA-N
XLogP4.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide (CID 52671085) is 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide is COc1cc(-c2ccccc2)sc1C(=O)Nc1ncc(C)s1.
What is the InChIKey of 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide?
The InChIKey is UIVXKTODLXATEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-10-9-17-16(21-10)18-15(19)14-12(20-2)8-13(22-14)11-6-4-3-5-7-11/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide?
3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(5-methyl-1,3-thiazol-2-yl)-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 52671085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).