3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide

C16H13ClN2O3S — CID 39951417

IUPAC3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2O3S/c1-2-22-10-4-5-12-14(8-10)23-16(18-12)19-15(21)9-3-6-13(20)11(17)7-9/h3-8,20H,2H2,1H3,(H,18,19,21)
InChIKeyUROMKHSMSNROIG-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.31
Rot. Bonds4

About 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide (PubChem CID 39951417) has the molecular formula C16H13ClN2O3S and a molecular weight of 348.81 g/mol. Its IUPAC name is 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
PubChem CID39951417
Molecular FormulaC16H13ClN2O3S
Molecular Weight348.81 g/mol
Exact Mass348.03
IUPAC Name3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2c1
InChIInChI=1S/C16H13ClN2O3S/c1-2-22-10-4-5-12-14(8-10)23-16(18-12)19-15(21)9-3-6-13(20)11(17)7-9/h3-8,20H,2H2,1H3,(H,18,19,21)
InChIKeyUROMKHSMSNROIG-UHFFFAOYSA-N
XLogP4.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide 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

3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 141404414
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 18854268
4-chloro-3-(dimethylsulfamoyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 26251712
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
7-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 24564349
4-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 27675707
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide (CID 39951417) is 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide is CCOc1ccc2nc(NC(=O)c3ccc(O)c(Cl)c3)sc2c1.
What is the InChIKey of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide?
The InChIKey is UROMKHSMSNROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3S/c1-2-22-10-4-5-12-14(8-10)23-16(18-12)19-15(21)9-3-6-13(20)11(17)7-9/h3-8,20H,2H2,1H3,(H,18,19,21).
What are the key properties of 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide?
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide has a molecular weight of 348.81 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide is sourced from PubChem (CID 39951417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).