N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide

C17H10ClN3O2S — CID 27991229

IUPACN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Cl)nc1
InChIInChI=1S/C17H10ClN3O2S/c18-15-6-5-11(8-19-15)16(22)21-17-20-12(9-24-17)14-7-10-3-1-2-4-13(10)23-14/h1-9H,(H,20,21,22)
InChIKeyGJPQKNFKIIEVIR-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.86
Rot. Bonds3

About N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide (PubChem CID 27991229) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
PubChem CID27991229
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC NameN-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Cl)nc1
InChIInChI=1S/C17H10ClN3O2S/c18-15-6-5-11(8-19-15)16(22)21-17-20-12(9-24-17)14-7-10-3-1-2-4-13(10)23-14/h1-9H,(H,20,21,22)
InChIKeyGJPQKNFKIIEVIR-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-benzoylbenzamide
CID 2322213
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 112812456
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60528485
6-chloro-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 39016010
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[bis(2-chloroethyl)sulfamoyl]benzamide
CID 2322200
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2322219
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-(2-oxochromen-3-yl)benzamide
CID 2001935
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-(difluoromethyl)-3H-benzimidazole-5-carboxamide
CID 56561159
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 25319225
N-[2-[[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 112799500
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-3-propan-2-ylsulfonylbenzamide
CID 25319317
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 8702507

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
The IUPAC name of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide (CID 27991229) is N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide is O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Cl)nc1.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
The InChIKey is GJPQKNFKIIEVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-15-6-5-11(8-19-15)16(22)21-17-20-12(9-24-17)14-7-10-3-1-2-4-13(10)23-14/h1-9H,(H,20,21,22).
What are the key properties of N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide?
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide has a molecular weight of 355.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-6-chloropyridine-3-carboxamide is sourced from PubChem (CID 27991229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).