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

C15H24N2O2S — CID 80576489

IUPACethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C15H24N2O2S/c1-4-19-13(18)9-11-10-20-14(16-11)17-12-7-5-6-8-15(12,2)3/h10,12H,4-9H2,1-3H3,(H,16,17)
InChIKeyPFQSYLPJUNDYBZ-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.63
Rot. Bonds5

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

ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 80576489) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID80576489
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC2CCCCC2(C)C)n1
InChIInChI=1S/C15H24N2O2S/c1-4-19-13(18)9-11-10-20-14(16-11)17-12-7-5-6-8-15(12,2)3/h10,12H,4-9H2,1-3H3,(H,16,17)
InChIKeyPFQSYLPJUNDYBZ-UHFFFAOYSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 80576470
ethyl 2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazole-4-carboxylate
CID 80569564
ethyl 2-[2-[(2-ethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575965
methyl 3-[2-[(2,2-dimethylcyclopentyl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040507
ethyl 2-[2-[(1-methylcyclopentanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 78909599
ethyl 2-[2-(cyclopentanecarbonylamino)-1,3-thiazol-4-yl]acetate
CID 43405484
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 2-[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80575211
ethyl 2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetate
CID 80576123
ethyl 2-[2-[(2,2-dibromo-1-methylcyclopropanecarbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 4098348
ethyl 3-[2-(cyclooctylamino)-1,3-thiazol-4-yl]propanoate
CID 103485947

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate (CID 80576489) is ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC2CCCCC2(C)C)n1.
What is the InChIKey of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PFQSYLPJUNDYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-19-13(18)9-11-10-20-14(16-11)17-12-7-5-6-8-15(12,2)3/h10,12H,4-9H2,1-3H3,(H,16,17).
What are the key properties of ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 296.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 80576489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).