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

C8H11N3O3S — CID 47299980

IUPACmethyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H11N3O3S/c1-5-4-15-7(10-5)11-6(12)3-9-8(13)14-2/h4H,3H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyRWISERCXWYNIFI-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.75
Rot. Bonds3

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

methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate (PubChem CID 47299980) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
PubChem CID47299980
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Namemethyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)Nc1nc(C)cs1
InChIInChI=1S/C8H11N3O3S/c1-5-4-15-7(10-5)11-6(12)3-9-8(13)14-2/h4H,3H2,1-2H3,(H,9,13)(H,10,11,12)
InChIKeyRWISERCXWYNIFI-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
2-(2-methoxyethoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 43037447
2-(3-methoxypropylamino)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 42769830
tert-butyl N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]-4-oxobutyl]carbamate
CID 47116057
3-methoxy-1-methyl-N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121091955
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120468
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51185664
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
5-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 79198899
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
N-(4-methyl-1,3-thiazol-2-yl)tetradecanamide
CID 139176889
2-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]amino]pentanoic acid
CID 43619432

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate (CID 47299980) is methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)Nc1nc(C)cs1.
What is the InChIKey of methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
The InChIKey is RWISERCXWYNIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-5-4-15-7(10-5)11-6(12)3-9-8(13)14-2/h4H,3H2,1-2H3,(H,9,13)(H,10,11,12).
What are the key properties of methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate?
methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate has a molecular weight of 229.26 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 47299980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).