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

C15H11ClN2O3S — CID 3325596

IUPAC(2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)OCn1c(=O)sc2ccccc21
InChIInChI=1S/C15H11ClN2O3S/c16-10-5-1-2-6-11(10)17-14(19)21-9-18-12-7-3-4-8-13(12)22-15(18)20/h1-8H,9H2,(H,17,19)
InChIKeyUEJPZTKRCYBKJO-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.92
Rot. Bonds3

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

(2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate (PubChem CID 3325596) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate.

Molecular Properties

Compound Name(2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate
PubChem CID3325596
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name(2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate
SMILESO=C(Nc1ccccc1Cl)OCn1c(=O)sc2ccccc21
InChIInChI=1S/C15H11ClN2O3S/c16-10-5-1-2-6-11(10)17-14(19)21-9-18-12-7-3-4-8-13(12)22-15(18)20/h1-8H,9H2,(H,17,19)
InChIKeyUEJPZTKRCYBKJO-UHFFFAOYSA-N
XLogP3.92
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-chlorophenoxy)methyl]-1,3-benzothiazol-2-one
CID 4576921
2-chloroethyl (2-oxo-1,3-benzothiazol-3-yl)methyl carbonate
CID 4215535
N-(2,4-dichlorophenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 990869
(2-oxo-1,3-benzothiazol-3-yl)methyl 2-phenylacetate;hydrate
CID 51056964
(2-chlorophenyl)methyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 166369145
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 10665227
2-[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]oxyethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 5159797
N-(2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 1081529
2,2,2-trichloroethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4294591
3-[3-(2-chlorophenoxy)propyl]-1,3-benzothiazol-2-one
CID 3898051
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 752445
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate?
The IUPAC name of (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate (CID 3325596) is (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate.
What is the SMILES notation for (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate?
The canonical SMILES for (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate is O=C(Nc1ccccc1Cl)OCn1c(=O)sc2ccccc21.
What is the InChIKey of (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate?
The InChIKey is UEJPZTKRCYBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c16-10-5-1-2-6-11(10)17-14(19)21-9-18-12-7-3-4-8-13(12)22-15(18)20/h1-8H,9H2,(H,17,19).
What are the key properties of (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate?
(2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate has a molecular weight of 334.78 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3-benzothiazol-3-yl)methyl N-(2-chlorophenyl)carbamate is sourced from PubChem (CID 3325596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).