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

C16H24N2O3S — CID 903561

IUPACethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCC2CCCCC2)nc1C
InChIInChI=1S/C16H24N2O3S/c1-3-21-15(20)14-11(2)17-16(22-14)18-13(19)10-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyPPPXRFDFABOSNH-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.93
Rot. Bonds6

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

ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 903561) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID903561
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CCC2CCCCC2)nc1C
InChIInChI=1S/C16H24N2O3S/c1-3-21-15(20)14-11(2)17-16(22-14)18-13(19)10-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19)
InChIKeyPPPXRFDFABOSNH-UHFFFAOYSA-N
XLogP3.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 903561) is ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CCC2CCCCC2)nc1C.
What is the InChIKey of ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is PPPXRFDFABOSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-21-15(20)14-11(2)17-16(22-14)18-13(19)10-9-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclohexylpropanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 903561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).