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

C15H18FN3S — CID 63342291

IUPAC4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCC(c1nc(-c2cccc(F)c2)cs1)N1CCNCC1
InChIInChI=1S/C15H18FN3S/c1-11(19-7-5-17-6-8-19)15-18-14(10-20-15)12-3-2-4-13(16)9-12/h2-4,9-11,17H,5-8H2,1H3
InChIKeyUJUSXULGPNOWIM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.92
Rot. Bonds3

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

4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole (PubChem CID 63342291) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
PubChem CID63342291
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC Name4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole
SMILESCC(c1nc(-c2cccc(F)c2)cs1)N1CCNCC1
InChIInChI=1S/C15H18FN3S/c1-11(19-7-5-17-6-8-19)15-18-14(10-20-15)12-3-2-4-13(16)9-12/h2-4,9-11,17H,5-8H2,1H3
InChIKeyUJUSXULGPNOWIM-UHFFFAOYSA-N
XLogP2.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The IUPAC name of 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole (CID 63342291) is 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The canonical SMILES for 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole is CC(c1nc(-c2cccc(F)c2)cs1)N1CCNCC1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
The InChIKey is UJUSXULGPNOWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c1-11(19-7-5-17-6-8-19)15-18-14(10-20-15)12-3-2-4-13(16)9-12/h2-4,9-11,17H,5-8H2,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole?
4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole has a molecular weight of 291.39 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(1-piperazin-1-ylethyl)-1,3-thiazole is sourced from PubChem (CID 63342291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).