tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate

C14H22N2O3S — CID 71874177

IUPACtert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc(C)c(C(C)=O)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-7-16(13(18)19-14(4,5)6)8-11-15-9(2)12(20-11)10(3)17/h7-8H2,1-6H3
InChIKeyORTPIXQEKRIUFQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate

tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate (PubChem CID 71874177) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate
PubChem CID71874177
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Nametert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate
SMILESCCN(Cc1nc(C)c(C(C)=O)s1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H22N2O3S/c1-7-16(13(18)19-14(4,5)6)8-11-15-9(2)12(20-11)10(3)17/h7-8H2,1-6H3
InChIKeyORTPIXQEKRIUFQ-UHFFFAOYSA-N
XLogP3.41
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate 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 tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate (CID 71874177) is tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate is CCN(Cc1nc(C)c(C(C)=O)s1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate?
The InChIKey is ORTPIXQEKRIUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-7-16(13(18)19-14(4,5)6)8-11-15-9(2)12(20-11)10(3)17/h7-8H2,1-6H3.
What are the key properties of tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate?
tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate has a molecular weight of 298.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-acetyl-4-methyl-1,3-thiazol-2-yl)methyl]-N-ethylcarbamate is sourced from PubChem (CID 71874177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).