ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate

C15H24N2O2S — CID 80568326

IUPACethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H24N2O2S/c1-4-11-6-8-12(9-7-11)17(3)15-16-13(10-20-15)14(18)19-5-2/h10-12H,4-9H2,1-3H3
InChIKeyABIQMVWDNZZEMM-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate (PubChem CID 80568326) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
PubChem CID80568326
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N(C)C2CCC(CC)CC2)n1
InChIInChI=1S/C15H24N2O2S/c1-4-11-6-8-12(9-7-11)17(3)15-16-13(10-20-15)14(18)19-5-2/h10-12H,4-9H2,1-3H3
InChIKeyABIQMVWDNZZEMM-UHFFFAOYSA-N
XLogP3.72
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropylmethyl(propyl)amino]-1,3-thiazole-4-carboxylate
CID 80569174
ethyl 2-[methyl(propan-2-yl)amino]-1,3-thiazole-4-carboxylate
CID 80567825
ethyl 2-[methyl(oxan-4-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568734
ethyl 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568633
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
ethyl 2-[[(1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]-cyclopropylamino]-1,3-thiazole-4-carboxylate
CID 98351769
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
1-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64544014
2-chloro-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392188
ethyl 4-[(4-ethylcyclohexyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697832
ethyl 2-[(6-chloro-5-methylpyridazin-3-yl)-methylamino]-1,3-thiazole-4-carboxylate
CID 155592739
ethyl 2-cyclobutyl-1,3-thiazole-4-carboxylate
CID 54513950

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate (CID 80568326) is ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N(C)C2CCC(CC)CC2)n1.
What is the InChIKey of ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is ABIQMVWDNZZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-11-6-8-12(9-7-11)17(3)15-16-13(10-20-15)14(18)19-5-2/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethylcyclohexyl)-methylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80568326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).