4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

C14H16FN3S — CID 43841556

IUPAC4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKeyFSWCUCIXUPOPCE-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.35
Rot. Bonds3

About 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole

4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (PubChem CID 43841556) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
PubChem CID43841556
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(CN3CCNCC3)n2)cc1
InChIInChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKeyFSWCUCIXUPOPCE-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole (CID 43841556) is 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is Fc1ccc(-c2csc(CN3CCNCC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
The InChIKey is FSWCUCIXUPOPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)13-10-19-14(17-13)9-18-7-5-16-6-8-18/h1-4,10,16H,5-9H2.
What are the key properties of 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole?
4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole has a molecular weight of 277.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(piperazin-1-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 43841556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).