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

C14H16Cl2N2S — CID 71677757

IUPAC4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
SMILESClc1ccc(-c2csc(C3CCNCC3)n2)cc1.[Cl-].[H+]
InChIInChI=1S/C14H15ClN2S.ClH/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11;/h1-4,9,11,16H,5-8H2;1H
InChIKeyARYDLAHZMYCTEI-UHFFFAOYSA-N
MW315.27 g/mol
LogP1.05
Rot. Bonds2

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

4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride (PubChem CID 71677757) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
PubChem CID71677757
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
SMILESClc1ccc(-c2csc(C3CCNCC3)n2)cc1.[Cl-].[H+]
InChIInChI=1S/C14H15ClN2S.ClH/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11;/h1-4,9,11,16H,5-8H2;1H
InChIKeyARYDLAHZMYCTEI-UHFFFAOYSA-N
XLogP1.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride?
The IUPAC name of 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride (CID 71677757) is 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride.
What is the SMILES notation for 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride?
The canonical SMILES for 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride is Clc1ccc(-c2csc(C3CCNCC3)n2)cc1.[Cl-].[H+].
What is the InChIKey of 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride?
The InChIKey is ARYDLAHZMYCTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S.ClH/c15-12-3-1-10(2-4-12)13-9-18-14(17-13)11-5-7-16-8-6-11;/h1-4,9,11,16H,5-8H2;1H.
What are the key properties of 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride?
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride has a molecular weight of 315.27 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride is sourced from PubChem (CID 71677757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).