N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide

C20H23N3O2S — CID 26244284

IUPACN-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C20H23N3O2S/c1-15-10-12-22(13-11-15)19(25)9-8-17-14-26-20(21-17)23(16(2)24)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3/b9-8+
InChIKeyRUJVNULZUUYINM-CMDGGOBGSA-N
MW369.49 g/mol
LogP4.10
Rot. Bonds4

About N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide

N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide (PubChem CID 26244284) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
PubChem CID26244284
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(C)CC2)cs1
InChIInChI=1S/C20H23N3O2S/c1-15-10-12-22(13-11-15)19(25)9-8-17-14-26-20(21-17)23(16(2)24)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3/b9-8+
InChIKeyRUJVNULZUUYINM-CMDGGOBGSA-N
XLogP4.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The IUPAC name of N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide (CID 26244284) is N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide.
What is the SMILES notation for N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The canonical SMILES for N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide is CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(C)CC2)cs1.
What is the InChIKey of N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
The InChIKey is RUJVNULZUUYINM-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-15-10-12-22(13-11-15)19(25)9-8-17-14-26-20(21-17)23(16(2)24)18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3/b9-8+.
What are the key properties of N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide?
N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide has a molecular weight of 369.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide is sourced from PubChem (CID 26244284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).