2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

C9H12N2O3S — CID 104770718

IUPAC2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1nc(C)cs1
InChIInChI=1S/C9H12N2O3S/c1-5-4-15-8(10-5)7(9(13)14)11(3)6(2)12/h4,7H,1-3H3,(H,13,14)
InChIKeyUXJWMZBKPDOQEK-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.06
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid

2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (PubChem CID 104770718) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
PubChem CID104770718
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1nc(C)cs1
InChIInChI=1S/C9H12N2O3S/c1-5-4-15-8(10-5)7(9(13)14)11(3)6(2)12/h4,7H,1-3H3,(H,13,14)
InChIKeyUXJWMZBKPDOQEK-UHFFFAOYSA-N
XLogP1.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 143571852
2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770725
N,2-dimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 20655939
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054
2-[ethyl(phenylmethoxycarbonyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770737
3-(4-methyl-1,3-thiazol-2-yl)pentan-2-one
CID 63196473
2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
CID 115380681
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-(3-hydroxybutan-2-yloxy)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 103377886
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 78995805
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770608
2-chloro-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 104771577

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid (CID 104770718) is 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is CC(=O)N(C)C(C(=O)O)c1nc(C)cs1.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
The InChIKey is UXJWMZBKPDOQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-5-4-15-8(10-5)7(9(13)14)11(3)6(2)12/h4,7H,1-3H3,(H,13,14).
What are the key properties of 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid?
2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid has a molecular weight of 228.27 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid is sourced from PubChem (CID 104770718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).