propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate

C15H18N2O2S — CID 144959111

IUPACpropan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11(2)19-15(18)16-9-8-13-10-20-14(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)
InChIKeyCGBGHBMGEUZVIL-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.49
Rot. Bonds5

About propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate

propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate (PubChem CID 144959111) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
PubChem CID144959111
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Namepropan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C15H18N2O2S/c1-11(2)19-15(18)16-9-8-13-10-20-14(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18)
InChIKeyCGBGHBMGEUZVIL-UHFFFAOYSA-N
XLogP3.49
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]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 propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate (CID 144959111) is propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate is CC(C)OC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
The InChIKey is CGBGHBMGEUZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(2)19-15(18)16-9-8-13-10-20-14(17-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H,16,18).
What are the key properties of propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate?
propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate has a molecular weight of 290.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]carbamate is sourced from PubChem (CID 144959111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).