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

C14H14Cl2N2S — CID 62539823

IUPAC4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(C3CCCCN3)n2)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-10-5-4-9(7-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h4-5,7-8,12,17H,1-3,6H2
InChIKeyPECFDNUISQHPJM-UHFFFAOYSA-N
MW313.25 g/mol
LogP4.93
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole (PubChem CID 62539823) has the molecular formula C14H14Cl2N2S and a molecular weight of 313.25 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
PubChem CID62539823
Molecular FormulaC14H14Cl2N2S
Molecular Weight313.25 g/mol
Exact Mass312.03
IUPAC Name4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole
SMILESClc1ccc(-c2csc(C3CCCCN3)n2)cc1Cl
InChIInChI=1S/C14H14Cl2N2S/c15-10-5-4-9(7-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h4-5,7-8,12,17H,1-3,6H2
InChIKeyPECFDNUISQHPJM-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole (CID 62539823) is 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole is Clc1ccc(-c2csc(C3CCCCN3)n2)cc1Cl.
What is the InChIKey of 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole?
The InChIKey is PECFDNUISQHPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2S/c15-10-5-4-9(7-11(10)16)13-8-19-14(18-13)12-3-1-2-6-17-12/h4-5,7-8,12,17H,1-3,6H2.
What are the key properties of 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole?
4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole has a molecular weight of 313.25 g/mol, XLogP of 4.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-2-piperidin-2-yl-1,3-thiazole is sourced from PubChem (CID 62539823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).