N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H9ClN2O3S — CID 7590058

IUPACN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C13H9ClN2O3S/c1-18-8-5-4-7(14)11-10(8)15-13(20-11)16-12(17)9-3-2-6-19-9/h2-6H,1H3,(H,15,16,17)
InChIKeyZMFMSDWOSMYVLH-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.80
Rot. Bonds3

About N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 7590058) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID7590058
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1ccc(Cl)c2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C13H9ClN2O3S/c1-18-8-5-4-7(14)11-10(8)15-13(20-11)16-12(17)9-3-2-6-19-9/h2-6H,1H3,(H,15,16,17)
InChIKeyZMFMSDWOSMYVLH-UHFFFAOYSA-N
XLogP3.80
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-benzoyl-N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41073963
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 43548233
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-4-(dimethylamino)benzamide
CID 7590088
1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-ethylurea
CID 121082763
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7590113
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2159294
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 43994698
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7590117
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-3-carboxamide
CID 7590071
1-benzhydryl-3-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121082762
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-(diaminomethylideneamino)-1,3-thiazole-4-carboxamide
CID 15050541
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-2-ethylsulfanylbenzamide
CID 7590116

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 7590058) is N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is COc1ccc(Cl)c2sc(NC(=O)c3ccco3)nc12.
What is the InChIKey of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is ZMFMSDWOSMYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c1-18-8-5-4-7(14)11-10(8)15-13(20-11)16-12(17)9-3-2-6-19-9/h2-6H,1H3,(H,15,16,17).
What are the key properties of N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 308.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 7590058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).