methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate

C10H15NO2S — CID 116865714

IUPACmethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C10H15NO2S/c1-6-7(2)14-8(11-6)10(3,4)9(12)13-5/h1-5H3
InChIKeyPPXPBHHNVMMSQF-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.21
Rot. Bonds2

About methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate

methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate (PubChem CID 116865714) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate
PubChem CID116865714
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Namemethyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)c1nc(C)c(C)s1
InChIInChI=1S/C10H15NO2S/c1-6-7(2)14-8(11-6)10(3,4)9(12)13-5/h1-5H3
InChIKeyPPXPBHHNVMMSQF-UHFFFAOYSA-N
XLogP2.21
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoic acid
CID 116865676
2-tert-butyl-4,5-dimethyl-1,3-thiazole;methane
CID 162228688
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]benzoic acid
CID 119185819
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
CID 116987083
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119890095
3-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-2-methylbutanamide;dihydrochloride
CID 120504074
4-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673743
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-4-(methylamino)butanamide
CID 119890059
2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61331926
2-tert-butyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19885502
methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate
CID 116901342
N-tert-butyl-2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxoacetamide
CID 166878823

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate (CID 116865714) is methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate is COC(=O)C(C)(C)c1nc(C)c(C)s1.
What is the InChIKey of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate?
The InChIKey is PPXPBHHNVMMSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-6-7(2)14-8(11-6)10(3,4)9(12)13-5/h1-5H3.
What are the key properties of methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate?
methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate has a molecular weight of 213.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanoate is sourced from PubChem (CID 116865714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).