4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole

C14H14F2N2S — CID 55084480

IUPAC4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESFc1cccc(F)c1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C14H14F2N2S/c15-10-2-1-3-11(16)13(10)12-8-19-14(18-12)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2
InChIKeyOOKANMDVXUVCFC-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.56
Rot. Bonds2

About 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole

4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 55084480) has the molecular formula C14H14F2N2S and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID55084480
Molecular FormulaC14H14F2N2S
Molecular Weight280.34 g/mol
Exact Mass280.08
IUPAC Name4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole
SMILESFc1cccc(F)c1-c1csc(C2CCNCC2)n1
InChIInChI=1S/C14H14F2N2S/c15-10-2-1-3-11(16)13(10)12-8-19-14(18-12)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2
InChIKeyOOKANMDVXUVCFC-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
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2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
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2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]thiomorpholine
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4-Phenyl-2-thiazoleethanamine
CID 1497794
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
1-Benzyl-4-(2-phenyl-thiazol-4-ylmethyl)-piperazine
CID 12050196
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 92131180
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 118514488
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]ethyl]piperidine-1-carboxamide
CID 118524279

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole (CID 55084480) is 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole is Fc1cccc(F)c1-c1csc(C2CCNCC2)n1.
What is the InChIKey of 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is OOKANMDVXUVCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2S/c15-10-2-1-3-11(16)13(10)12-8-19-14(18-12)9-4-6-17-7-5-9/h1-3,8-9,17H,4-7H2.
What are the key properties of 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole?
4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 280.34 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 55084480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).