(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate

C16H12ClNO3S — CID 166369145

IUPAC(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
SMILESO=C(Cn1c(=O)sc2ccccc21)OCc1ccccc1Cl
InChIInChI=1S/C16H12ClNO3S/c17-12-6-2-1-5-11(12)10-21-15(19)9-18-13-7-3-4-8-14(13)22-16(18)20/h1-8H,9-10H2
InChIKeyZNWAGBOTFPHOAY-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.46
Rot. Bonds4

About (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate

(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (PubChem CID 166369145) has the molecular formula C16H12ClNO3S and a molecular weight of 333.80 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
PubChem CID166369145
Molecular FormulaC16H12ClNO3S
Molecular Weight333.80 g/mol
Exact Mass333.02
IUPAC Name(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
SMILESO=C(Cn1c(=O)sc2ccccc21)OCc1ccccc1Cl
InChIInChI=1S/C16H12ClNO3S/c17-12-6-2-1-5-11(12)10-21-15(19)9-18-13-7-3-4-8-14(13)22-16(18)20/h1-8H,9-10H2
InChIKeyZNWAGBOTFPHOAY-UHFFFAOYSA-N
XLogP3.46
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate 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

2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]oxyethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 5159797
2,2,2-trichloroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4294591
propan-2-yl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 648103
2-(4-methylphenoxy)ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4280363
(2,4-dimethylphenyl)methyl 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetate
CID 985793
methyl 2-[2-[2-(2-chlorophenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate
CID 43940936
(2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate
CID 3325596
(3,5-dimethylphenyl) 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 3371314
(2-chlorophenyl)methyl 2-aminoacetate
CID 54593146
3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one
CID 4576921
(2-oxo-1,3-benzothiazol-3-yl)methyl 2-phenylacetate;hydrate
CID 51056964
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The IUPAC name of (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate (CID 166369145) is (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The canonical SMILES for (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is O=C(Cn1c(=O)sc2ccccc21)OCc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
The InChIKey is ZNWAGBOTFPHOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO3S/c17-12-6-2-1-5-11(12)10-21-15(19)9-18-13-7-3-4-8-14(13)22-16(18)20/h1-8H,9-10H2.
What are the key properties of (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate?
(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate has a molecular weight of 333.80 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate is sourced from PubChem (CID 166369145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).