3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

C16H13ClN2O2S — CID 748232

IUPAC3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2O2S/c1-2-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyXODPTEDFIKTXCZ-UHFFFAOYSA-N
MW332.81 g/mol
LogP4.60
Rot. Bonds4

About 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (PubChem CID 748232) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
PubChem CID748232
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
SMILESCCOc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2O2S/c1-2-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyXODPTEDFIKTXCZ-UHFFFAOYSA-N
XLogP4.60
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-Benzothiazol-2-YL)-4-methoxybenzamide
CID 675912
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
2-Hydroxy-N-(6-methoxy-benzothiazol-2-yl)-benzamide
CID 782771
N-(1,3-benzothiazol-2-yl)-3-methoxybenzamide
CID 669445
N-(1,3-benzothiazol-2-yl)-2-methoxybenzamide
CID 708625
2-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 748071
4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 750191
N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 718830
2-Propenamide, 2-cyano-N-(6-methoxy-2-benzothiazolyl)-3-phenyl-
CID 5469111
N-benzyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 5018499
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 887167
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-methylfuran-3-carboxamide
CID 1245272

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide (CID 748232) is 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is CCOc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1.
What is the InChIKey of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is XODPTEDFIKTXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-2-21-12-6-7-13-14(9-12)22-16(18-13)19-15(20)10-4-3-5-11(17)8-10/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide?
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 332.81 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 748232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).