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

C13H9ClN2O2S — CID 952748

IUPACN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl
InChIInChI=1S/C13H9ClN2O2S/c1-7-5-11-9(6-8(7)14)15-13(19-11)16-12(17)10-3-2-4-18-10/h2-6H,1H3,(H,15,16,17)
InChIKeyKGSHLNBQHOHKPG-UHFFFAOYSA-N
MW292.75 g/mol
LogP4.10
Rot. Bonds2

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

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 952748) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID952748
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC NameN-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl
InChIInChI=1S/C13H9ClN2O2S/c1-7-5-11-9(6-8(7)14)15-13(19-11)16-12(17)10-3-2-4-18-10/h2-6H,1H3,(H,15,16,17)
InChIKeyKGSHLNBQHOHKPG-UHFFFAOYSA-N
XLogP4.10
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-benzo[e][1,3]benzothiazol-2-ylfuran-2-carboxamide
CID 565816
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
5-bromo-N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 795005
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 834435
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
CID 2445991
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844224
N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 739613
N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2385407

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 952748) is N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1cc2sc(NC(=O)c3ccco3)nc2cc1Cl.
What is the InChIKey of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is KGSHLNBQHOHKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-7-5-11-9(6-8(7)14)15-13(19-11)16-12(17)10-3-2-4-18-10/h2-6H,1H3,(H,15,16,17).
What are the key properties of N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 292.75 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 952748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).