ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate

C19H24N2O2S — CID 66613739

IUPACethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-2-23-18(22)11-13-3-5-15(6-4-13)19-21-12-17(24-19)14-7-9-16(20)10-8-14/h7-10,12-13,15H,2-6,11,20H2,1H3
InChIKeyHOHIOSPLAZUORV-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.62
Rot. Bonds5

About ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate

ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate (PubChem CID 66613739) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate
PubChem CID66613739
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Nameethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate
SMILESCCOC(=O)CC1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1
InChIInChI=1S/C19H24N2O2S/c1-2-23-18(22)11-13-3-5-15(6-4-13)19-21-12-17(24-19)14-7-9-16(20)10-8-14/h7-10,12-13,15H,2-6,11,20H2,1H3
InChIKeyHOHIOSPLAZUORV-UHFFFAOYSA-N
XLogP4.62
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate?
The IUPAC name of ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate (CID 66613739) is ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate.
What is the SMILES notation for ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate?
The canonical SMILES for ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate is CCOC(=O)CC1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1.
What is the InChIKey of ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate?
The InChIKey is HOHIOSPLAZUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-2-23-18(22)11-13-3-5-15(6-4-13)19-21-12-17(24-19)14-7-9-16(20)10-8-14/h7-10,12-13,15H,2-6,11,20H2,1H3.
What are the key properties of ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate?
ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate has a molecular weight of 344.48 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[5-(4-aminophenyl)-1,3-thiazol-2-yl]cyclohexyl]acetate is sourced from PubChem (CID 66613739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).