ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate

C12H15NO3S — CID 58654220

IUPACethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2csc(C)n2)CCC(=O)C1
InChIInChI=1S/C12H15NO3S/c1-3-16-11(15)12(5-4-9(14)6-12)10-7-17-8(2)13-10/h7H,3-6H2,1-2H3
InChIKeyMSVYCEQDYVEJAF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.01
Rot. Bonds3

About ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate

ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate (PubChem CID 58654220) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
PubChem CID58654220
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2csc(C)n2)CCC(=O)C1
InChIInChI=1S/C12H15NO3S/c1-3-16-11(15)12(5-4-9(14)6-12)10-7-17-8(2)13-10/h7H,3-6H2,1-2H3
InChIKeyMSVYCEQDYVEJAF-UHFFFAOYSA-N
XLogP2.01
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate
CID 58654222
ethane;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 142892430
diethyl 6,8-dioxobicyclo[3.2.2]nonane-1,5-dicarboxylate
CID 2825180
ethyl 1-[6-(iodoamino)-3-pyridinyl]cyclopropane-1-carboxylate
CID 134605040
1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 65198382
ethyl 1-(5-methyl-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
CID 79472492
ethyl 7,7-dimethyl-6-oxo-2,3,4,5-tetrahydroindene-3a-carboxylate
CID 11064400
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
ethyl 1-ethoxy-4-oxocyclohexane-1-carboxylate
CID 129073639
ethyl 1-[2-[4-pentoxy-3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]cyclopropane-1-carboxylate
CID 58792028
ethyl (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 69362897
2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
CID 90291718

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate (CID 58654220) is ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate is CCOC(=O)C1(c2csc(C)n2)CCC(=O)C1.
What is the InChIKey of ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate?
The InChIKey is MSVYCEQDYVEJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-16-11(15)12(5-4-9(14)6-12)10-7-17-8(2)13-10/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate?
ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 58654220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).