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

C14H12N2O2S — CID 702340

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyQDNFWKWRSIUGLJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.76
Rot. Bonds2

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

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 702340) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID702340
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1
InChIInChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17)
InChIKeyQDNFWKWRSIUGLJ-UHFFFAOYSA-N
XLogP3.76
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-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 N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 702340) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is Cc1cc(C)c2nc(NC(=O)c3ccco3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is QDNFWKWRSIUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-6-9(2)12-11(7-8)19-14(15-12)16-13(17)10-4-3-5-18-10/h3-7H,1-2H3,(H,15,16,17).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 702340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).