N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

C17H11N3O2S2 — CID 166186361

IUPACN-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1cnc(-c2cccs2)s1
InChIInChI=1S/C17H11N3O2S2/c21-16(15-9-19-17(24-15)14-2-1-7-23-14)20-12-5-3-11(4-6-12)13-8-18-10-22-13/h1-10H,(H,20,21)
InChIKeyANXPQBXCKOWEOX-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.78
Rot. Bonds4

About N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide

N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 166186361) has the molecular formula C17H11N3O2S2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
PubChem CID166186361
Molecular FormulaC17H11N3O2S2
Molecular Weight353.43 g/mol
Exact Mass353.03
IUPAC NameN-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(-c2cnco2)cc1)c1cnc(-c2cccs2)s1
InChIInChI=1S/C17H11N3O2S2/c21-16(15-9-19-17(24-15)14-2-1-7-23-14)20-12-5-3-11(4-6-12)13-8-18-10-22-13/h1-10H,(H,20,21)
InChIKeyANXPQBXCKOWEOX-UHFFFAOYSA-N
XLogP4.78
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-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 N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide (CID 166186361) is N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(-c2cnco2)cc1)c1cnc(-c2cccs2)s1.
What is the InChIKey of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ANXPQBXCKOWEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S2/c21-16(15-9-19-17(24-15)14-2-1-7-23-14)20-12-5-3-11(4-6-12)13-8-18-10-22-13/h1-10H,(H,20,21).
What are the key properties of N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide?
N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166186361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).