ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate

C16H26N2O2S — CID 80574669

IUPACethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCCC2CCC(C)CC2)n1
InChIInChI=1S/C16H26N2O2S/c1-3-20-15(19)10-14-11-21-16(18-14)17-9-8-13-6-4-12(2)5-7-13/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyOJGAAWDOYZNBSX-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.88
Rot. Bonds7

About ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 80574669) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
PubChem CID80574669
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Nameethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NCCC2CCC(C)CC2)n1
InChIInChI=1S/C16H26N2O2S/c1-3-20-15(19)10-14-11-21-16(18-14)17-9-8-13-6-4-12(2)5-7-13/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyOJGAAWDOYZNBSX-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(3-propoxypropylamino)-1,3-thiazol-4-yl]acetate
CID 82947003
ethyl 2-[2-[2-(dimethylamino)ethylamino]-1,3-thiazol-4-yl]acetate
CID 78912318
ethyl 2-[2-[2-(trifluoromethylsulfanyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 114188389
ethyl 2-[2-[(2-methoxy-2-oxoethyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575326
ethyl 2-[2-(3-methylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 80576085
ethyl 2-[2-(4-methylpentylamino)-1,3-thiazol-4-yl]acetate
CID 80576900
ethyl 2-[2-(3-ethylsulfanylpropylamino)-1,3-thiazol-4-yl]acetate
CID 114248792
ethyl 2-[2-[(4-tert-butylcyclohexanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 46510209
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate (CID 80574669) is ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NCCC2CCC(C)CC2)n1.
What is the InChIKey of ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is OJGAAWDOYZNBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-20-15(19)10-14-11-21-16(18-14)17-9-8-13-6-4-12(2)5-7-13/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 310.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80574669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).