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

C12H15NO2S — CID 58654222

IUPACethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(c2csc(C)n2)CC=CC1
InChIInChI=1S/C12H15NO2S/c1-3-15-11(14)12(6-4-5-7-12)10-8-16-9(2)13-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyJMFRVNWJPFJVOU-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.60
Rot. Bonds3

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

ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate (PubChem CID 58654222) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate
PubChem CID58654222
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Nameethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate
SMILESCCOC(=O)C1(c2csc(C)n2)CC=CC1
InChIInChI=1S/C12H15NO2S/c1-3-15-11(14)12(6-4-5-7-12)10-8-16-9(2)13-10/h4-5,8H,3,6-7H2,1-2H3
InChIKeyJMFRVNWJPFJVOU-UHFFFAOYSA-N
XLogP2.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2-methyl-1,3-thiazol-4-yl)-3-oxocyclopentane-1-carboxylate
CID 58654220
ethyl 1-fluorocyclopent-3-ene-1-carboxylate
CID 45090301
ethane;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-3-oxocyclopentane-1-carboxylate
CID 142892430
1-(2-methyl-1,3-thiazol-4-yl)cyclopropan-1-ol
CID 65198382
ethyl (3S,5R)-5-(2-amino-1,3-thiazol-4-yl)-3-ethyl-5-methyl-2-oxooxolane-3-carboxylate
CID 825970
ethyl (2Z)-2-hydroxyimino-2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 12961159
ethyl (E)-2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 69362897
ethyl (2S)-2-[(2-methyl-1,3-thiazole-4-carbonyl)amino]propanoate
CID 94211552
ethyl 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]acetate
CID 60812256
methyl 3-(2-methyl-1,3-thiazol-4-yl)-3-oxopropanoate
CID 82658265
2-methyl-4-(1-methylcyclopropyl)-1,3-thiazole
CID 90291718
ethyl (3S)-3-amino-3-(2-methyl-1,3-thiazol-4-yl)propanoate
CID 104862981

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate (CID 58654222) is ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate is CCOC(=O)C1(c2csc(C)n2)CC=CC1.
What is the InChIKey of ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate?
The InChIKey is JMFRVNWJPFJVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-3-15-11(14)12(6-4-5-7-12)10-8-16-9(2)13-10/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate?
ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate has a molecular weight of 237.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-1,3-thiazol-4-yl)cyclopent-3-ene-1-carboxylate is sourced from PubChem (CID 58654222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).