5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

C12H7ClN2O2S — CID 9138749

IUPAC5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H7ClN2O2S/c13-8-1-2-9-7(5-8)6-10(17-9)11(16)15-12-14-3-4-18-12/h1-6H,(H,14,15,16)
InChIKeyFAQFKAVQKCOMHV-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.80
Rot. Bonds2

About 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide

5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 9138749) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
PubChem CID9138749
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC Name5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1nccs1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H7ClN2O2S/c13-8-1-2-9-7(5-8)6-10(17-9)11(16)15-12-14-3-4-18-12/h1-6H,(H,14,15,16)
InChIKeyFAQFKAVQKCOMHV-UHFFFAOYSA-N
XLogP3.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(3,5-dichlorophenyl)-1-benzofuran-2-carboxamide
CID 19240955
5-chloro-N-(2,6-difluorophenyl)-1-benzofuran-2-carboxamide
CID 51217226
5-chloro-N-(4-chloro-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 9138973
2-(5-chloro-2-fluorophenyl)imino-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 51367701
5-chloro-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 9138991
5-chloro-N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43836952
N-tert-butyl-5-chloro-1-benzofuran-2-carboxamide
CID 19240925
N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-1-benzofuran-2-carboxamide
CID 42581704
5-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-1-benzofuran-2-carboxamide
CID 134019812
4-chloro-5-(2-hydroxyethylamino)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
CID 71417922
5-chloro-N-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]-1-benzofuran-2-carboxamide
CID 51098015
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide (CID 9138749) is 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is FAQFKAVQKCOMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-8-1-2-9-7(5-8)6-10(17-9)11(16)15-12-14-3-4-18-12/h1-6H,(H,14,15,16).
What are the key properties of 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide?
5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9138749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).