N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C17H11N3O2S — CID 2406187

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1
InChIInChI=1S/C17H11N3O2S/c21-16(15-9-11-5-1-2-7-14(11)22-15)20-17-19-13(10-23-17)12-6-3-4-8-18-12/h1-10H,(H,19,20,21)
InChIKeyBUMXSHBMVVXNRT-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.20
Rot. Bonds3

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 2406187) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID2406187
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1
InChIInChI=1S/C17H11N3O2S/c21-16(15-9-11-5-1-2-7-14(11)22-15)20-17-19-13(10-23-17)12-6-3-4-8-18-12/h1-10H,(H,19,20,21)
InChIKeyBUMXSHBMVVXNRT-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-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 N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 2406187) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is O=C(Nc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is BUMXSHBMVVXNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-16(15-9-11-5-1-2-7-14(11)22-15)20-17-19-13(10-23-17)12-6-3-4-8-18-12/h1-10H,(H,19,20,21).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 321.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2406187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).