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

C15H24N2O2S — CID 116526701

IUPACethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C2CCCCC2C)sc1C
InChIInChI=1S/C15H24N2O2S/c1-5-19-14(18)13-11(3)20-15(16-13)17(4)12-9-7-6-8-10(12)2/h10,12H,5-9H2,1-4H3
InChIKeyQKHFWAWNUJVDOR-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.64
Rot. Bonds4

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

ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 116526701) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID116526701
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(N(C)C2CCCCC2C)sc1C
InChIInChI=1S/C15H24N2O2S/c1-5-19-14(18)13-11(3)20-15(16-13)17(4)12-9-7-6-8-10(12)2/h10,12H,5-9H2,1-4H3
InChIKeyQKHFWAWNUJVDOR-UHFFFAOYSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[methyl-(4-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 116526736
ethyl 5-methyl-2-[methyl(oxolan-3-yl)amino]-1,3-thiazole-4-carboxylate
CID 116527049
ethyl 2-[1-cyclopropylethyl(methyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526532
ethyl 5-methyl-2-[(2-methylcycloheptyl)amino]-1,3-thiazole-4-carboxylate
CID 116526955
ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate
CID 116526687
ethyl 2-[cyclopropylmethyl(propyl)amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 116526609
ethyl 5-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 116526836
ethyl 5-methyl-2-[methyl(4-methylpentan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 116526729
ethyl 5-methyl-2-[methyl(2-methylsulfanylethyl)amino]-1,3-thiazole-4-carboxylate
CID 116527071
ethyl 2-(1-aminocycloheptyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527165
ethyl 2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116744479
ethyl 5-acetyl-2-[cyclopentyl(ethyl)amino]-1,3-thiazole-4-carboxylate
CID 107377280

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate (CID 116526701) is ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(N(C)C2CCCCC2C)sc1C.
What is the InChIKey of ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is QKHFWAWNUJVDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-19-14(18)13-11(3)20-15(16-13)17(4)12-9-7-6-8-10(12)2/h10,12H,5-9H2,1-4H3.
What are the key properties of ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[methyl-(2-methylcyclohexyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).