4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole

C23H26N2S2 — CID 52946282

IUPAC4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole
SMILESc1ccc(-c2nc(SCCCN3CCCCC3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N2S2/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
InChIKeyWTQZWJPQDXFSHK-UHFFFAOYSA-N
MW394.61 g/mol
LogP6.45
Rot. Bonds7

About 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole

4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole (PubChem CID 52946282) has the molecular formula C23H26N2S2 and a molecular weight of 394.61 g/mol. Its IUPAC name is 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole
PubChem CID52946282
Molecular FormulaC23H26N2S2
Molecular Weight394.61 g/mol
Exact Mass394.15
IUPAC Name4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole
SMILESc1ccc(-c2nc(SCCCN3CCCCC3)sc2-c2ccccc2)cc1
InChIInChI=1S/C23H26N2S2/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2
InChIKeyWTQZWJPQDXFSHK-UHFFFAOYSA-N
XLogP6.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.61
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole?
The IUPAC name of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole (CID 52946282) is 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole.
What is the SMILES notation for 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole?
The canonical SMILES for 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole is c1ccc(-c2nc(SCCCN3CCCCC3)sc2-c2ccccc2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole?
The InChIKey is WTQZWJPQDXFSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2S2/c1-4-11-19(12-5-1)21-22(20-13-6-2-7-14-20)27-23(24-21)26-18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2.
What are the key properties of 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole?
4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole has a molecular weight of 394.61 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(3-piperidin-1-ylpropylsulfanyl)-1,3-thiazole is sourced from PubChem (CID 52946282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).