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

C14H16Cl2N2S — CID 120558221

IUPAC4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCl.Clc1cccc(-c2csc(C3CCNCC3)n2)c1
InChIInChI=1S/C14H15ClN2S.ClH/c15-12-3-1-2-11(8-12)13-9-18-14(17-13)10-4-6-16-7-5-10;/h1-3,8-10,16H,4-7H2;1H
InChIKeyCZMGPDDJBMMUJT-UHFFFAOYSA-N
MW315.27 g/mol
LogP4.35
Rot. Bonds2

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

4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (PubChem CID 120558221) has the molecular formula C14H16Cl2N2S and a molecular weight of 315.27 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
PubChem CID120558221
Molecular FormulaC14H16Cl2N2S
Molecular Weight315.27 g/mol
Exact Mass314.04
IUPAC Name4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
SMILESCl.Clc1cccc(-c2csc(C3CCNCC3)n2)c1
InChIInChI=1S/C14H15ClN2S.ClH/c15-12-3-1-2-11(8-12)13-9-18-14(17-13)10-4-6-16-7-5-10;/h1-3,8-10,16H,4-7H2;1H
InChIKeyCZMGPDDJBMMUJT-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 62541433
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
CID 71677757
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
4-(1,3-benzodioxol-5-yl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558243
4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
CID 59252377
4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
CID 55084480
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
CID 62540016
4-(3,5-ditert-butylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 59210176
4-(5-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 67322897
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The IUPAC name of 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride (CID 120558221) is 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride.
What is the SMILES notation for 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The canonical SMILES for 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is Cl.Clc1cccc(-c2csc(C3CCNCC3)n2)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
The InChIKey is CZMGPDDJBMMUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S.ClH/c15-12-3-1-2-11(8-12)13-9-18-14(17-13)10-4-6-16-7-5-10;/h1-3,8-10,16H,4-7H2;1H.
What are the key properties of 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride?
4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride has a molecular weight of 315.27 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride is sourced from PubChem (CID 120558221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).