1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one

C26H30N2OS — CID 143696082

IUPAC1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccccc1C(Cc1csc(N2CCCCC2)n1)C(=O)c1ccccc1
InChIInChI=1S/C26H30N2OS/c1-19(2)22-13-7-8-14-23(22)24(25(29)20-11-5-3-6-12-20)17-21-18-30-26(27-21)28-15-9-4-10-16-28/h3,5-8,11-14,18-19,24H,4,9-10,15-17H2,1-2H3
InChIKeyAUWVARNGFAOPLQ-UHFFFAOYSA-N
MW418.61 g/mol
LogP6.47
Rot. Bonds7

About 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one

1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one (PubChem CID 143696082) has the molecular formula C26H30N2OS and a molecular weight of 418.61 g/mol. Its IUPAC name is 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one
PubChem CID143696082
Molecular FormulaC26H30N2OS
Molecular Weight418.61 g/mol
Exact Mass418.21
IUPAC Name1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one
SMILESCC(C)c1ccccc1C(Cc1csc(N2CCCCC2)n1)C(=O)c1ccccc1
InChIInChI=1S/C26H30N2OS/c1-19(2)22-13-7-8-14-23(22)24(25(29)20-11-5-3-6-12-20)17-21-18-30-26(27-21)28-15-9-4-10-16-28/h3,5-8,11-14,18-19,24H,4,9-10,15-17H2,1-2H3
InChIKeyAUWVARNGFAOPLQ-UHFFFAOYSA-N
XLogP6.47
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.61
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one (CID 143696082) is 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one is CC(C)c1ccccc1C(Cc1csc(N2CCCCC2)n1)C(=O)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one?
The InChIKey is AUWVARNGFAOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2OS/c1-19(2)22-13-7-8-14-23(22)24(25(29)20-11-5-3-6-12-20)17-21-18-30-26(27-21)28-15-9-4-10-16-28/h3,5-8,11-14,18-19,24H,4,9-10,15-17H2,1-2H3.
What are the key properties of 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one?
1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one has a molecular weight of 418.61 g/mol, XLogP of 6.47, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-piperidin-1-yl-1,3-thiazol-4-yl)-2-(2-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 143696082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).