4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole

C15H18N2S — CID 55084434

IUPAC4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCc1ccccc1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C15H18N2S/c1-11-4-2-3-5-13(11)14-10-18-15(17-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3
InChIKeyUEZYQWYOMBMEMY-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.59
Rot. Bonds2

About 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole

4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 55084434) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID55084434
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCc1ccccc1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C15H18N2S/c1-11-4-2-3-5-13(11)14-10-18-15(17-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3
InChIKeyUEZYQWYOMBMEMY-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole (CID 55084434) is 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole is Cc1ccccc1-c1csc(C2CCNCC2)n1.
What is the InChIKey of 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is UEZYQWYOMBMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-4-2-3-5-13(11)14-10-18-15(17-14)12-6-8-16-9-7-12/h2-5,10,12,16H,6-9H2,1H3.
What are the key properties of 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole?
4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 55084434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).