4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole

C18H24N2OS — CID 52943847

IUPAC4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole
SMILESCc1nc(OCCCN2CCCCC2)sc1-c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-15-17(16-9-4-2-5-10-16)22-18(19-15)21-14-8-13-20-11-6-3-7-12-20/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyYVNLNYXPLHTTCF-UHFFFAOYSA-N
MW316.47 g/mol
LogP4.37
Rot. Bonds6

About 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole

4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole (PubChem CID 52943847) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole
PubChem CID52943847
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole
SMILESCc1nc(OCCCN2CCCCC2)sc1-c1ccccc1
InChIInChI=1S/C18H24N2OS/c1-15-17(16-9-4-2-5-10-16)22-18(19-15)21-14-8-13-20-11-6-3-7-12-20/h2,4-5,9-10H,3,6-8,11-14H2,1H3
InChIKeyYVNLNYXPLHTTCF-UHFFFAOYSA-N
XLogP4.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 54.37
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-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole?
The IUPAC name of 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole (CID 52943847) is 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole is Cc1nc(OCCCN2CCCCC2)sc1-c1ccccc1.
What is the InChIKey of 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole?
The InChIKey is YVNLNYXPLHTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-15-17(16-9-4-2-5-10-16)22-18(19-15)21-14-8-13-20-11-6-3-7-12-20/h2,4-5,9-10H,3,6-8,11-14H2,1H3.
What are the key properties of 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole?
4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole has a molecular weight of 316.47 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-2-(3-piperidin-1-ylpropoxy)-1,3-thiazole is sourced from PubChem (CID 52943847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).