ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate

C13H18N2O3S — CID 12831780

IUPACethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(C2CCCCC2)cs1
InChIInChI=1S/C13H18N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyIMZCSZRCRCEECB-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.69
Rot. Bonds3

About ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate

ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (PubChem CID 12831780) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
PubChem CID12831780
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Nameethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1nc(C2CCCCC2)cs1
InChIInChI=1S/C13H18N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,15,16)
InChIKeyIMZCSZRCRCEECB-UHFFFAOYSA-N
XLogP2.69
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate (CID 12831780) is ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1nc(C2CCCCC2)cs1.
What is the InChIKey of ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
The InChIKey is IMZCSZRCRCEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-18-12(17)11(16)15-13-14-10(8-19-13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,14,15,16).
What are the key properties of ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate?
ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate has a molecular weight of 282.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 12831780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).