2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide

C15H14N2O4S2 — CID 1247683

IUPAC2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)o1
InChIInChI=1S/C15H14N2O4S2/c1-8-6-11(9(2)21-8)14(18)17-15-16-12-5-4-10(23(3,19)20)7-13(12)22-15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyCVKCEGNTEYRDCP-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.16
Rot. Bonds3

About 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide

2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide (PubChem CID 1247683) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
PubChem CID1247683
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC Name2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)o1
InChIInChI=1S/C15H14N2O4S2/c1-8-6-11(9(2)21-8)14(18)17-15-16-12-5-4-10(23(3,19)20)7-13(12)22-15/h4-7H,1-3H3,(H,16,17,18)
InChIKeyCVKCEGNTEYRDCP-UHFFFAOYSA-N
XLogP3.16
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide (CID 1247683) is 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide is Cc1cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
The InChIKey is CVKCEGNTEYRDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-8-6-11(9(2)21-8)14(18)17-15-16-12-5-4-10(23(3,19)20)7-13(12)22-15/h4-7H,1-3H3,(H,16,17,18).
What are the key properties of 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide?
2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 1247683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).