2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid

C8H10N2O3S — CID 110477259

IUPAC2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)NCc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C8H10N2O3S/c1-4-7(8(12)13)10-6(14-4)3-9-5(2)11/h3H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyWWHNIWROBOCMEL-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.79
Rot. Bonds3

About 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid

2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 110477259) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID110477259
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)NCc1nc(C(=O)O)c(C)s1
InChIInChI=1S/C8H10N2O3S/c1-4-7(8(12)13)10-6(14-4)3-9-5(2)11/h3H2,1-2H3,(H,9,11)(H,12,13)
InChIKeyWWHNIWROBOCMEL-UHFFFAOYSA-N
XLogP0.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(propylaminomethyl)-1,3-thiazole-4-carboxylic acid
CID 115422064
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
5-methyl-2-[[(3-methyloxane-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 138005938
5-methyl-2-(3-methylbutyl)-1,3-thiazole-4-carboxylic acid
CID 115422774
2-(cyclopropylmethyl)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422719
5-methyl-2-[[[(1R,2R)-2-(3-methylphenyl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 167814589
5-butan-2-yl-2-[(carboxyamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 175018071
2-[[(2-ethylphenyl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 146140907
5-methyl-2-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 136572278
2-[[(1,5-dimethylpyrazol-4-yl)sulfonylamino]methyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 154771725
5-methyl-2-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 80503554
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703

Frequently Asked Questions

What is the IUPAC name of 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 110477259) is 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid is CC(=O)NCc1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is WWHNIWROBOCMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-4-7(8(12)13)10-6(14-4)3-9-5(2)11/h3H2,1-2H3,(H,9,11)(H,12,13).
What are the key properties of 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.25 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetamidomethyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 110477259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).