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

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Related Compounds

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 734562
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
5-methyl-N-[4-(2-pyridinyl)-2-thiazolyl]-2-furancarboxamide
CID 2466262
5-fluoro-3-methyl-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 9508654
2-[(2-pyridinylthio)methyl]-1H-benzofuro[3,2-d]pyrimidin-4-one
CID 135412412
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
N-(4-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 774920
2-(5-methyl-2-furyl)-N-1,3-thiazol-2-yl-4-quinolinecarboxamide
CID 1358325
N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 748350
N,N,4-trimethyl-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 1245933
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
N-(5-methyl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2673057

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).