5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole

C14H16FN3S — CID 95481197

IUPAC5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
SMILESFc1ccc(Cc2cnc(N3CCNCC3)s2)cc1
InChIInChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)9-13-10-17-14(19-13)18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKeySYXYNMCSRVIXLZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole

5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole (PubChem CID 95481197) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
PubChem CID95481197
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole
SMILESFc1ccc(Cc2cnc(N3CCNCC3)s2)cc1
InChIInChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)9-13-10-17-14(19-13)18-7-5-16-6-8-18/h1-4,10,16H,5-9H2
InChIKeySYXYNMCSRVIXLZ-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole (CID 95481197) is 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole is Fc1ccc(Cc2cnc(N3CCNCC3)s2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is SYXYNMCSRVIXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c15-12-3-1-11(2-4-12)9-13-10-17-14(19-13)18-7-5-16-6-8-18/h1-4,10,16H,5-9H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole?
5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 277.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 95481197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).