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

C14H22N2O2S — CID 80575639

IUPACethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC2CCC(C)CC2)n1
InChIInChI=1S/C14H22N2O2S/c1-3-18-13(17)8-12-9-19-14(16-12)15-11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyVZRCSOKEPOGBNN-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.24
Rot. Bonds5

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

ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80575639) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80575639
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Nameethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC2CCC(C)CC2)n1
InChIInChI=1S/C14H22N2O2S/c1-3-18-13(17)8-12-9-19-14(16-12)15-11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyVZRCSOKEPOGBNN-UHFFFAOYSA-N
XLogP3.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazol-4-yl]acetate
CID 80574669
ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575965
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947
ethyl 3-[2-[(3-methylcyclobutyl)amino]-1,3-thiazol-4-yl]propanoate
CID 103488590
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
3-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486023
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80576489
ethyl 2-[2-(butylamino)-1,3-thiazol-4-yl]acetate
CID 78907475
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
CID 99785660

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate (CID 80575639) is ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC2CCC(C)CC2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is VZRCSOKEPOGBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-18-13(17)8-12-9-19-14(16-12)15-11-6-4-10(2)5-7-11/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 282.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80575639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).