N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H9ClN2O3S — CID 834435

IUPACN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl
InChIInChI=1S/C13H9ClN2O3S/c1-18-10-6-11-8(5-7(10)14)15-13(20-11)16-12(17)9-3-2-4-19-9/h2-6H,1H3,(H,15,16,17)
InChIKeyZDNOADZFKLEWJW-UHFFFAOYSA-N
MW308.75 g/mol
LogP3.80
Rot. Bonds3

About N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 834435) has the molecular formula C13H9ClN2O3S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID834435
Molecular FormulaC13H9ClN2O3S
Molecular Weight308.75 g/mol
Exact Mass308.00
IUPAC NameN-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCOc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl
InChIInChI=1S/C13H9ClN2O3S/c1-18-10-6-11-8(5-7(10)14)15-13(20-11)16-12(17)9-3-2-4-19-9/h2-6H,1H3,(H,15,16,17)
InChIKeyZDNOADZFKLEWJW-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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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 834435) is N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is COc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is ZDNOADZFKLEWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3S/c1-18-10-6-11-8(5-7(10)14)15-13(20-11)16-12(17)9-3-2-4-19-9/h2-6H,1H3,(H,15,16,17).
What are the key properties of N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(5-chloro-6-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-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 834435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).