benzyl N-(1,3-thiazol-2-yl)carbamate

C11H10N2O2S — CID 5113639

IUPACbenzyl N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)OCc1ccccc1
InChIInChI=1S/C11H10N2O2S/c14-11(13-10-12-6-7-16-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
InChIKeyQKWLYHRESAIPGB-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.89
Rot. Bonds3

About benzyl N-(1,3-thiazol-2-yl)carbamate

benzyl N-(1,3-thiazol-2-yl)carbamate (PubChem CID 5113639) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is benzyl N-(1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1,3-thiazol-2-yl)carbamate
PubChem CID5113639
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namebenzyl N-(1,3-thiazol-2-yl)carbamate
SMILESO=C(Nc1nccs1)OCc1ccccc1
InChIInChI=1S/C11H10N2O2S/c14-11(13-10-12-6-7-16-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14)
InChIKeyQKWLYHRESAIPGB-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl N-(1,3-thiazol-2-yl)carbamate 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 benzyl N-(1,3-thiazol-2-yl)carbamate?
The IUPAC name of benzyl N-(1,3-thiazol-2-yl)carbamate (CID 5113639) is benzyl N-(1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1,3-thiazol-2-yl)carbamate?
The canonical SMILES for benzyl N-(1,3-thiazol-2-yl)carbamate is O=C(Nc1nccs1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1,3-thiazol-2-yl)carbamate?
The InChIKey is QKWLYHRESAIPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c14-11(13-10-12-6-7-16-10)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14).
What are the key properties of benzyl N-(1,3-thiazol-2-yl)carbamate?
benzyl N-(1,3-thiazol-2-yl)carbamate has a molecular weight of 234.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 5113639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).