methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate

C12H13NO2S2 — CID 116890129

IUPACmethyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)C(C)(C)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H13NO2S2/c1-12(2,11(14)15-3)9-7-17-10(13-9)8-5-4-6-16-8/h4-7H,1-3H3
InChIKeyKBAQJJIPMJCOPL-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.32
Rot. Bonds3

About methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate

methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate (PubChem CID 116890129) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
PubChem CID116890129
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Namemethyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate
SMILESCOC(=O)C(C)(C)c1csc(-c2cccs2)n1
InChIInChI=1S/C12H13NO2S2/c1-12(2,11(14)15-3)9-7-17-10(13-9)8-5-4-6-16-8/h4-7H,1-3H3
InChIKeyKBAQJJIPMJCOPL-UHFFFAOYSA-N
XLogP3.32
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902
methyl 2-methyl-2-[2-(methylamino)-1,3-thiazol-4-yl]propanoate
CID 130537394
1-[(3S)-3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 100738581
N-(furan-2-ylmethyl)-N,2-dimethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
CID 100723402
N-[(2-methylpropan-2-yl)oxy]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 82723620
methyl 2-[2-(1-ethylpyrazol-4-yl)-1,3-thiazol-4-yl]-2-methylpropanoate
CID 112752355
N-(3,5-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 9441109
N-(5-bromo-1H-indazol-3-yl)-2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanamide
CID 166329333
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
methyl 2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoate
CID 112752462
2-[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 43170823

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate (CID 116890129) is methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate is COC(=O)C(C)(C)c1csc(-c2cccs2)n1.
What is the InChIKey of methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate?
The InChIKey is KBAQJJIPMJCOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-12(2,11(14)15-3)9-7-17-10(13-9)8-5-4-6-16-8/h4-7H,1-3H3.
What are the key properties of methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate?
methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate has a molecular weight of 267.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propanoate is sourced from PubChem (CID 116890129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).