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

C16H24N2O3S — CID 3152626

IUPACethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C16H24N2O3S/c1-2-21-15(20)10-13-11-22-16(17-13)18-14(19)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3,(H,17,18,19)
InChIKeyNMKCGWABIPCURG-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.55
Rot. Bonds7

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

ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 3152626) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID3152626
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Nameethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)CCC2CCCCC2)n1
InChIInChI=1S/C16H24N2O3S/c1-2-21-15(20)10-13-11-22-16(17-13)18-14(19)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3,(H,17,18,19)
InChIKeyNMKCGWABIPCURG-UHFFFAOYSA-N
XLogP3.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(3-cyclohexylpropanoylamino)-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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate (CID 3152626) is ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)CCC2CCCCC2)n1.
What is the InChIKey of ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is NMKCGWABIPCURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-2-21-15(20)10-13-11-22-16(17-13)18-14(19)9-8-12-6-4-3-5-7-12/h11-12H,2-10H2,1H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 324.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(3-cyclohexylpropanoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3152626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).