ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate

C9H12N2O3S — CID 47257312

IUPACethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1scnc1C
InChIInChI=1S/C9H12N2O3S/c1-3-14-7(12)4-10-9(13)8-6(2)11-5-15-8/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyPJVNTSYCYSUMKS-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.74
Rot. Bonds4

About ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate

ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate (PubChem CID 47257312) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
PubChem CID47257312
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Nameethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1scnc1C
InChIInChI=1S/C9H12N2O3S/c1-3-14-7(12)4-10-9(13)8-6(2)11-5-15-8/h5H,3-4H2,1-2H3,(H,10,13)
InChIKeyPJVNTSYCYSUMKS-UHFFFAOYSA-N
XLogP0.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(4-methyl-1,3-thiazol-5-yl)formamido]acetamide
CID 47209159
Methyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate
CID 43608055
4-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 45823479
4-methyl-N-[2-oxo-2-(propylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47035721
4-methyl-N-(3-morpholin-4-yl-3-oxopropyl)-1,3-thiazole-5-carboxamide
CID 47035815
tert-butyl N-[2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]ethyl]carbamate
CID 47453269
(2,2-Dimethylmorpholin-4-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 51080857
Methyl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)-propylamino]acetate
CID 51083211
[4-(2-Methoxyethyl)-1,4-diazepan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 53499260
4-(4-Methylthiazole-5-carbonyl)piperazin-2-one
CID 53522944
2-(ethoxymethyl)-4-methyl-N-(2-sulfanylethyl)-1,3-thiazole-5-carboxamide
CID 177679630
4-methyl-N-[2-(3-sulfanylpropanoylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 177680731

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate (CID 47257312) is ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1scnc1C.
What is the InChIKey of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
The InChIKey is PJVNTSYCYSUMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-3-14-7(12)4-10-9(13)8-6(2)11-5-15-8/h5H,3-4H2,1-2H3,(H,10,13).
What are the key properties of ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate?
ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate has a molecular weight of 228.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]acetate is sourced from PubChem (CID 47257312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).