ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate

C15H21NO3S — CID 107376074

IUPACethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC(C)CC2)sc1C(C)=O
InChIInChI=1S/C15H21NO3S/c1-4-19-15(18)12-13(10(3)17)20-14(16-12)11-7-5-9(2)6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyMEAOGWVVPLMMEE-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.82
Rot. Bonds4

About ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate

ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate (PubChem CID 107376074) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
PubChem CID107376074
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Nameethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCC(C)CC2)sc1C(C)=O
InChIInChI=1S/C15H21NO3S/c1-4-19-15(18)12-13(10(3)17)20-14(16-12)11-7-5-9(2)6-8-11/h9,11H,4-8H2,1-3H3
InChIKeyMEAOGWVVPLMMEE-UHFFFAOYSA-N
XLogP3.82
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-acetyl-2-[amino(cyclopropyl)methyl]-1,3-thiazole-4-carboxylate
CID 107380026
ethyl 2-cyclopropyl-4-(hydroxymethyl)-1,3-thiazole-5-carboxylate
CID 163219311
ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 107377280
ethyl 5-acetyl-2-(2,4-dimethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 107378405
ethyl 5-bromo-2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 155124766
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 107376454
5-acetyl-2-methyl-1,3-thiazole-4-carboxamide;azane;ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
CID 158653673
ethyl 5-acetyl-2-(thian-4-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 107378342
ethyl 5-acetyl-2-(methylaminomethyl)-1,3-thiazole-4-carboxylate
CID 107380120
ethyl 5-acetyl-2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazole-4-carboxylate
CID 107377816
ethyl 5-acetyl-2-(2-aminopropyl)-1,3-thiazole-4-carboxylate
CID 107380163
1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
CID 82432421

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate (CID 107376074) is ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CCC(C)CC2)sc1C(C)=O.
What is the InChIKey of ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
The InChIKey is MEAOGWVVPLMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-4-19-15(18)12-13(10(3)17)20-14(16-12)11-7-5-9(2)6-8-11/h9,11H,4-8H2,1-3H3.
What are the key properties of ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate?
ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-2-(4-methylcyclohexyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 107376074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).