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

C15H23NO3S — CID 116744479

IUPACethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(OC)CCCC(C)C2)sc1C
InChIInChI=1S/C15H23NO3S/c1-5-19-13(17)12-11(3)20-14(16-12)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3
InChIKeyYWPNTLBUNZGNOO-UHFFFAOYSA-N
MW297.42 g/mol
LogP3.68
Rot. Bonds4

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

ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116744479) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116744479
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Nameethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2(OC)CCCC(C)C2)sc1C
InChIInChI=1S/C15H23NO3S/c1-5-19-13(17)12-11(3)20-14(16-12)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3
InChIKeyYWPNTLBUNZGNOO-UHFFFAOYSA-N
XLogP3.68
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(1-methoxy-4,4-dimethylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744473
2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazol-4-amine
CID 116782598
ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527165
1-[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 116774230
methyl 2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744463
[2-(1-methoxy-3-methylcyclohexyl)-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 116778134
ethyl 5-methyl-2-(1-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 116526208
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526701
2-(1-methoxy-3-methylcyclohexyl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 116774139
2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359987
N-[[2-(1-methoxy-3-methylcyclohexyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116777930
ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840672

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate (CID 116744479) is ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2(OC)CCCC(C)C2)sc1C.
What is the InChIKey of ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is YWPNTLBUNZGNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-5-19-13(17)12-11(3)20-14(16-12)15(18-4)8-6-7-10(2)9-15/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 297.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116744479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).