methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

C8H11NO2S — CID 116987083

IUPACmethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(C)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3
InChIKeyYIILUFDXAKNGKX-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.59
Rot. Bonds2

About methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate

methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate (PubChem CID 116987083) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
PubChem CID116987083
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Namemethyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate
SMILESCOC(=O)C(C)(C)c1nccs1
InChIInChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3
InChIKeyYIILUFDXAKNGKX-UHFFFAOYSA-N
XLogP1.59
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxypropan-2-yl)-1,3-thiazole;1-(1,3-thiazol-2-yl)ethanone
CID 160500283
methyl 2-(cyclopentylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991150
methyl 2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990980
methyl 2-(cyclohexylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64991251
methyl 2-(prop-2-enylamino)-2-(1,3-thiazol-2-yl)propanoate
CID 64990575
methyl 3-amino-3-(1,3-thiazol-2-yl)butanoate
CID 79848838
(2R)-2-amino-2-(1,3-thiazol-2-yl)propanoic acid
CID 66644727
methyl 4-[2-(1,3-thiazol-2-yl)propan-2-yl]benzoate
CID 67257411
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2,2-difluoro-3-hydroxy-3-(1,3-thiazol-2-yl)butanoic acid
CID 64990931

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate (CID 116987083) is methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate is COC(=O)C(C)(C)c1nccs1.
What is the InChIKey of methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
The InChIKey is YIILUFDXAKNGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-8(2,7(10)11-3)6-9-4-5-12-6/h4-5H,1-3H3.
What are the key properties of methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate?
methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate has a molecular weight of 185.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(1,3-thiazol-2-yl)propanoate is sourced from PubChem (CID 116987083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).