[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C20H18FN3OS — CID 53169198

IUPAC[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cccc(F)c2)ns1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18FN3OS/c21-16-6-4-5-15(13-16)18-14-19(26-22-18)20(25)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2
InChIKeyKLAGDNUERAXUII-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.91
Rot. Bonds3

About [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53169198) has the molecular formula C20H18FN3OS and a molecular weight of 367.45 g/mol. Its IUPAC name is [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID53169198
Molecular FormulaC20H18FN3OS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cc(-c2cccc(F)c2)ns1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H18FN3OS/c21-16-6-4-5-15(13-16)18-14-19(26-22-18)20(25)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2
InChIKeyKLAGDNUERAXUII-UHFFFAOYSA-N
XLogP3.91
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 53169198) is [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is O=C(c1cc(-c2cccc(F)c2)ns1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is KLAGDNUERAXUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3OS/c21-16-6-4-5-15(13-16)18-14-19(26-22-18)20(25)24-11-9-23(10-12-24)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2.
What are the key properties of [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 367.45 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53169198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).