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

C14H15ClN2S — CID 59571525

IUPAC2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole
SMILESClc1ccc(-c2nc(C3CCNCC3)cs2)cc1
InChIInChI=1S/C14H15ClN2S/c15-12-3-1-11(2-4-12)14-17-13(9-18-14)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2
InChIKeyPWIZHHWLJUWJIV-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.93
Rot. Bonds2

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

2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole (PubChem CID 59571525) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole
PubChem CID59571525
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole
SMILESClc1ccc(-c2nc(C3CCNCC3)cs2)cc1
InChIInChI=1S/C14H15ClN2S/c15-12-3-1-11(2-4-12)14-17-13(9-18-14)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2
InChIKeyPWIZHHWLJUWJIV-UHFFFAOYSA-N
XLogP3.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole (CID 59571525) is 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole is Clc1ccc(-c2nc(C3CCNCC3)cs2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole?
The InChIKey is PWIZHHWLJUWJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c15-12-3-1-11(2-4-12)14-17-13(9-18-14)10-5-7-16-8-6-10/h1-4,9-10,16H,5-8H2.
What are the key properties of 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole?
2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole has a molecular weight of 278.81 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 59571525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).