4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole

C14H14ClFN2S — CID 62541433

IUPAC4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESFc1ccc(-c2csc(C3CCNCC3)n2)cc1Cl
InChIInChI=1S/C14H14ClFN2S/c15-11-7-10(1-2-12(11)16)13-8-19-14(18-13)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2
InChIKeyAFZJHMVBXSTIKN-UHFFFAOYSA-N
MW296.80 g/mol
LogP4.07
Rot. Bonds2

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

4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 62541433) has the molecular formula C14H14ClFN2S and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID62541433
Molecular FormulaC14H14ClFN2S
Molecular Weight296.80 g/mol
Exact Mass296.06
IUPAC Name4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESFc1ccc(-c2csc(C3CCNCC3)n2)cc1Cl
InChIInChI=1S/C14H14ClFN2S/c15-11-7-10(1-2-12(11)16)13-8-19-14(18-13)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2
InChIKeyAFZJHMVBXSTIKN-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole (CID 62541433) is 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole is Fc1ccc(-c2csc(C3CCNCC3)n2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is AFZJHMVBXSTIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2S/c15-11-7-10(1-2-12(11)16)13-8-19-14(18-13)9-3-5-17-6-4-9/h1-2,7-9,17H,3-6H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 296.80 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 62541433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).