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

C15H24N2O2S — CID 104840672

IUPACethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2(N)CCCC(C)C2)nc1CC
InChIInChI=1S/C15H24N2O2S/c1-4-11-12(13(18)19-5-2)20-14(17-11)15(16)8-6-7-10(3)9-15/h10H,4-9,16H2,1-3H3
InChIKeyIRIJVSPZCAXNFZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.25
Rot. Bonds4

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

ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate (PubChem CID 104840672) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate
PubChem CID104840672
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(C2(N)CCCC(C)C2)nc1CC
InChIInChI=1S/C15H24N2O2S/c1-4-11-12(13(18)19-5-2)20-14(17-11)15(16)8-6-7-10(3)9-15/h10H,4-9,16H2,1-3H3
InChIKeyIRIJVSPZCAXNFZ-UHFFFAOYSA-N
XLogP3.25
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-amino-3-methylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114358517
2-(1-aminocyclobutyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840711
2-(1-aminocycloheptyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
CID 104840677
methyl 2-(1-aminocyclobutyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114358753
methyl 2-(1-aminocycloheptyl)-4-propyl-1,3-thiazole-5-carboxylate
CID 114358543
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527165
2-(1-ethoxy-3-methylcyclohexyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359987
methyl 2-(1-aminocycloheptyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358533
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 3-(1-hydroxy-3-methylcyclohexyl)propanoate
CID 66323405
ethyl 4-(cyclopentylmethyl)-2-ethyl-1,3-thiazole-5-carboxylate
CID 69484821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate (CID 104840672) is ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(C2(N)CCCC(C)C2)nc1CC.
What is the InChIKey of ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate?
The InChIKey is IRIJVSPZCAXNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-11-12(13(18)19-5-2)20-14(17-11)15(16)8-6-7-10(3)9-15/h10H,4-9,16H2,1-3H3.
What are the key properties of ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate?
ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-amino-3-methylcyclohexyl)-4-ethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 104840672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).