N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H9ClN2O2S — CID 3617877

IUPACN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C13H9ClN2O2S/c1-7-5-8(14)6-10-11(7)15-13(19-10)16-12(17)9-3-2-4-18-9/h2-6H,1H3,(H,15,16,17)
InChIKeyAEOFSMBPFVKJKT-UHFFFAOYSA-N
MW292.75 g/mol
LogP4.10
Rot. Bonds2

About N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 3617877) has the molecular formula C13H9ClN2O2S and a molecular weight of 292.75 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID3617877
Molecular FormulaC13H9ClN2O2S
Molecular Weight292.75 g/mol
Exact Mass292.01
IUPAC NameN-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(Cl)cc2sc(NC(=O)c3ccco3)nc12
InChIInChI=1S/C13H9ClN2O2S/c1-7-5-8(14)6-10-11(7)15-13(19-10)16-12(17)9-3-2-4-18-9/h2-6H,1H3,(H,15,16,17)
InChIKeyAEOFSMBPFVKJKT-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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 3617877) is N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1cc(Cl)cc2sc(NC(=O)c3ccco3)nc12.
What is the InChIKey of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is AEOFSMBPFVKJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2S/c1-7-5-8(14)6-10-11(7)15-13(19-10)16-12(17)9-3-2-4-18-9/h2-6H,1H3,(H,15,16,17).
What are the key properties of N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-chloro-4-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-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 3617877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).