1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate

C11H16N2O3S — CID 54347471

IUPAC1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(NC(=O)OCc1cncs1)C(C)C
InChIInChI=1S/C11H16N2O3S/c1-7(2)10(8(3)14)13-11(15)16-5-9-4-12-6-17-9/h4,6-7,10H,5H2,1-3H3,(H,13,15)
InChIKeyUDHNOQMRRXWJPD-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.98
Rot. Bonds5

About 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate

1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate (PubChem CID 54347471) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
PubChem CID54347471
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate
SMILESCC(=O)C(NC(=O)OCc1cncs1)C(C)C
InChIInChI=1S/C11H16N2O3S/c1-7(2)10(8(3)14)13-11(15)16-5-9-4-12-6-17-9/h4,6-7,10H,5H2,1-3H3,(H,13,15)
InChIKeyUDHNOQMRRXWJPD-UHFFFAOYSA-N
XLogP1.98
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-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 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate (CID 54347471) is 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate is CC(=O)C(NC(=O)OCc1cncs1)C(C)C.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
The InChIKey is UDHNOQMRRXWJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(2)10(8(3)14)13-11(15)16-5-9-4-12-6-17-9/h4,6-7,10H,5H2,1-3H3,(H,13,15).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate?
1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate has a molecular weight of 256.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(2-methyl-4-oxopentan-3-yl)carbamate is sourced from PubChem (CID 54347471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).