ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate

C12H18N2O2S — CID 113479412

IUPACethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCCC1CCC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-12(15)10-11(17-8-14-10)13-7-6-9-4-3-5-9/h8-9,13H,2-7H2,1H3
InChIKeySOIRHUDSFMMIQW-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.92
Rot. Bonds6

About ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate

ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate (PubChem CID 113479412) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate
PubChem CID113479412
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Nameethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCCC1CCC1
InChIInChI=1S/C12H18N2O2S/c1-2-16-12(15)10-11(17-8-14-10)13-7-6-9-4-3-5-9/h8-9,13H,2-7H2,1H3
InChIKeySOIRHUDSFMMIQW-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[2-(1-methylpiperidin-4-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 114516767
ethyl 5-(2,2-dimethylbutylamino)-1,3-thiazole-4-carboxylate
CID 103465035
5-(2-cyclohexylethylamino)-1,3-thiazole-4-carboxylic acid
CID 64629476
ethyl 5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-1,3-thiazole-4-carboxylate
CID 106279442
5-[2-(4-methylcyclohexyl)ethylamino]-1,3-thiazole-4-carboxylic acid
CID 64631108
ethyl 5-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106015850
ethyl 5-(3,3-dimethylbutan-2-ylamino)-1,3-thiazole-4-carboxylate
CID 113458065
ethyl 5-(thiolan-3-ylamino)-1,3-thiazole-4-carboxylate
CID 103064920
ethyl 5-(2-prop-2-ynylsulfanylethylamino)-1,3-thiazole-4-carboxylate
CID 114188234
ethyl 5-[2-(1H-imidazol-5-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 65232051
ethyl 5-[(3-ethyl-2-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylate
CID 64923664
ethyl 5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1,3-thiazole-4-carboxylate
CID 66407798

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate (CID 113479412) is ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NCCC1CCC1.
What is the InChIKey of ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is SOIRHUDSFMMIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-16-12(15)10-11(17-8-14-10)13-7-6-9-4-3-5-9/h8-9,13H,2-7H2,1H3.
What are the key properties of ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 254.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-cyclobutylethylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 113479412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).