N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C12H7ClN2O2S — CID 16764509

IUPACN-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2cc(Cl)ccc2s1)c1ccco1
InChIInChI=1S/C12H7ClN2O2S/c13-7-3-4-10-8(6-7)14-12(18-10)15-11(16)9-2-1-5-17-9/h1-6H,(H,14,15,16)
InChIKeyBSUXILMTPFJUFP-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.80
Rot. Bonds2

About N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 16764509) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID16764509
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC NameN-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2cc(Cl)ccc2s1)c1ccco1
InChIInChI=1S/C12H7ClN2O2S/c13-7-3-4-10-8(6-7)14-12(18-10)15-11(16)9-2-1-5-17-9/h1-6H,(H,14,15,16)
InChIKeyBSUXILMTPFJUFP-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

N-[6-[(2,4-dichlorobenzoyl)carbamothioylamino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127453
5-(2,5-dichlorophenyl)-N-[2-(furan-2-carbonylamino)-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 17127399
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
N-(3-chlorophenyl)-2-(furan-2-carbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468179
(E)-4-[(5-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 1389052
N-[2-[(2E)-2-butan-2-ylidenehydrazinyl]-1,3-benzothiazol-5-yl]furan-2-carboxamide
CID 95733393
N-[(5-chloro-1,3-benzothiazol-2-yl)carbamoyl]-2,6-difluorobenzamide
CID 19935023
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
N-(5-chloro-1,3-benzothiazol-2-yl)-5-[2-(methylamino)pyrimidin-4-yl]thiophene-2-carboxamide
CID 59857239
N-(6-chloro-1,3-benzothiazol-2-yl)-3-(furan-2-yl)prop-2-enamide
CID 896951
N-[6-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127420

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 16764509) is N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2cc(Cl)ccc2s1)c1ccco1.
What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is BSUXILMTPFJUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-7-3-4-10-8(6-7)14-12(18-10)15-11(16)9-2-1-5-17-9/h1-6H,(H,14,15,16).
What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(5-chloro-1,3-benzothiazol-2-yl)furan-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 N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 16764509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).