2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid

C9H13NO2S — CID 116865676

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
SMILESCc1nc(C(C)(C)C(=O)O)sc1C
InChIInChI=1S/C9H13NO2S/c1-5-6(2)13-7(10-5)9(3,4)8(11)12/h1-4H3,(H,11,12)
InChIKeyFUEDNVVNADBTQD-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.12
Rot. Bonds2

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid

2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid (PubChem CID 116865676) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
PubChem CID116865676
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
SMILESCc1nc(C(C)(C)C(=O)O)sc1C
InChIInChI=1S/C9H13NO2S/c1-5-6(2)13-7(10-5)9(3,4)8(11)12/h1-4H3,(H,11,12)
InChIKeyFUEDNVVNADBTQD-UHFFFAOYSA-N
XLogP2.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate
CID 116865714
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
2-(4-cyclohexyl-5-methyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865686
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]benzoic acid
CID 119185819
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119890095
4,5-dimethyl-2-(2-phenylpropan-2-yl)-1,3-thiazole
CID 59872552
2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79799267
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673743
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120504074
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3,3-dimethylbutan-2-one
CID 65168530
2-(1,1-difluoroethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 146589738

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid (CID 116865676) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid is Cc1nc(C(C)(C)C(=O)O)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
The InChIKey is FUEDNVVNADBTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-5-6(2)13-7(10-5)9(3,4)8(11)12/h1-4H3,(H,11,12).
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid has a molecular weight of 199.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 116865676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).