ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate

C15H24N2O2S — CID 80575965

IUPACethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC2CCCCC2CC)n1
InChIInChI=1S/C15H24N2O2S/c1-3-11-7-5-6-8-13(11)17-15-16-12(10-20-15)9-14(18)19-4-2/h10-11,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyCJTASDIIWJNLHG-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.63
Rot. Bonds6

About ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575965) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575965
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC2CCCCC2CC)n1
InChIInChI=1S/C15H24N2O2S/c1-3-11-7-5-6-8-13(11)17-15-16-12(10-20-15)9-14(18)19-4-2/h10-11,13H,3-9H2,1-2H3,(H,16,17)
InChIKeyCJTASDIIWJNLHG-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576489
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
ethyl 3-[2-[(2-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103485990
N-(2-ethylcyclohexyl)-4-methyl-1,3-thiazol-2-amine
CID 61469795
ethyl 2-(2-cyclooctyl-1,3-thiazol-4-yl)acetate
CID 80602146
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
CID 16637409
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019287

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate (CID 80575965) is ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC2CCCCC2CC)n1.
What is the InChIKey of ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is CJTASDIIWJNLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-7-5-6-8-13(11)17-15-16-12(10-20-15)9-14(18)19-4-2/h10-11,13H,3-9H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 296.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).