methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

C8H11N3O3S — CID 16883737

IUPACmethyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCNC(=O)Cc1csc(NC(=O)OC)n1
InChIInChI=1S/C8H11N3O3S/c1-9-6(12)3-5-4-15-7(10-5)11-8(13)14-2/h4H,3H2,1-2H3,(H,9,12)(H,10,11,13)
InChIKeyPQNAHKXJELTRHC-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.61
Rot. Bonds3

About methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate

methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 16883737) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID16883737
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Namemethyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
SMILESCNC(=O)Cc1csc(NC(=O)OC)n1
InChIInChI=1S/C8H11N3O3S/c1-9-6(12)3-5-4-15-7(10-5)11-8(13)14-2/h4H,3H2,1-2H3,(H,9,12)(H,10,11,13)
InChIKeyPQNAHKXJELTRHC-UHFFFAOYSA-N
XLogP0.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[4-[2-(methylamino)-2-oxoethyl]-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 methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate (CID 16883737) is methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is CNC(=O)Cc1csc(NC(=O)OC)n1.
What is the InChIKey of methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is PQNAHKXJELTRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-9-6(12)3-5-4-15-7(10-5)11-8(13)14-2/h4H,3H2,1-2H3,(H,9,12)(H,10,11,13).
What are the key properties of methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate?
methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 229.26 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 16883737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).