2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate

C16H20N2O3S — CID 10567726

IUPAC2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCn1sc2ccccc2c1=O
InChIInChI=1S/C16H20N2O3S/c19-15-13-8-4-5-9-14(13)22-18(15)10-11-21-16(20)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,20)
InChIKeyQLQGCVKVEFYJEO-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.12
Rot. Bonds4

About 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate

2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate (PubChem CID 10567726) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate
PubChem CID10567726
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCn1sc2ccccc2c1=O
InChIInChI=1S/C16H20N2O3S/c19-15-13-8-4-5-9-14(13)22-18(15)10-11-21-16(20)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,20)
InChIKeyQLQGCVKVEFYJEO-UHFFFAOYSA-N
XLogP3.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate 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 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate?
The IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate (CID 10567726) is 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate.
What is the SMILES notation for 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate?
The canonical SMILES for 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCCn1sc2ccccc2c1=O.
What is the InChIKey of 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate?
The InChIKey is QLQGCVKVEFYJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c19-15-13-8-4-5-9-14(13)22-18(15)10-11-21-16(20)17-12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,20).
What are the key properties of 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate?
2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate has a molecular weight of 320.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-benzothiazol-2-yl)ethyl N-cyclohexylcarbamate is sourced from PubChem (CID 10567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).