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

C13H12N2O4S2 — CID 22474495

IUPACN-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)SCN2C(=O)Nc1ccco1
InChIInChI=1S/C13H12N2O4S2/c1-21(17,18)9-4-5-10-11(7-9)20-8-15(10)13(16)14-12-3-2-6-19-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyVOEOWPABJIYGSE-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.78
Rot. Bonds2

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

N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide (PubChem CID 22474495) has the molecular formula C13H12N2O4S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide
PubChem CID22474495
Molecular FormulaC13H12N2O4S2
Molecular Weight324.38 g/mol
Exact Mass324.02
IUPAC NameN-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide
SMILESCS(=O)(=O)c1ccc2c(c1)SCN2C(=O)Nc1ccco1
InChIInChI=1S/C13H12N2O4S2/c1-21(17,18)9-4-5-10-11(7-9)20-8-15(10)13(16)14-12-3-2-6-19-12/h2-7H,8H2,1H3,(H,14,16)
InChIKeyVOEOWPABJIYGSE-UHFFFAOYSA-N
XLogP2.78
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide?
The IUPAC name of N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide (CID 22474495) is N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide?
The canonical SMILES for N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide is CS(=O)(=O)c1ccc2c(c1)SCN2C(=O)Nc1ccco1.
What is the InChIKey of N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide?
The InChIKey is VOEOWPABJIYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S2/c1-21(17,18)9-4-5-10-11(7-9)20-8-15(10)13(16)14-12-3-2-6-19-12/h2-7H,8H2,1H3,(H,14,16).
What are the key properties of N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide?
N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-6-methylsulfonyl-2H-1,3-benzothiazole-3-carboxamide is sourced from PubChem (CID 22474495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).