N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

C13H10N2O4S2 — CID 694928

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C13H10N2O4S2/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h2-7H,1H3,(H,14,15,16)
InChIKeyUVSPKKJKXDTKMJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.55
Rot. Bonds3

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 694928) has the molecular formula C13H10N2O4S2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID694928
Molecular FormulaC13H10N2O4S2
Molecular Weight322.37 g/mol
Exact Mass322.01
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C13H10N2O4S2/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h2-7H,1H3,(H,14,15,16)
InChIKeyUVSPKKJKXDTKMJ-UHFFFAOYSA-N
XLogP2.55
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 952238
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 618279
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
CID 4646592
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-(6-bromo-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 896391

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 694928) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is UVSPKKJKXDTKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4S2/c1-21(17,18)8-4-5-9-11(7-8)20-13(14-9)15-12(16)10-3-2-6-19-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 694928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).