(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

C15H14FN3O2S — CID 110646109

IUPAC(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H14FN3O2S/c16-12-4-2-1-3-11(12)14(20)18-5-7-19(8-6-18)15(21)13-9-22-10-17-13/h1-4,9-10H,5-8H2
InChIKeyODGBHBZMKINJAX-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.88
Rot. Bonds2

About (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 110646109) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
PubChem CID110646109
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC Name(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cscn1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H14FN3O2S/c16-12-4-2-1-3-11(12)14(20)18-5-7-19(8-6-18)15(21)13-9-22-10-17-13/h1-4,9-10H,5-8H2
InChIKeyODGBHBZMKINJAX-UHFFFAOYSA-N
XLogP1.88
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl(1,3-thiazol-4-yl)methanone
CID 62045313
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
cyclopropyl-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone
CID 63049768
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 119710424
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110854625
[4-(3-chlorophenyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 63038242
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646192

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone (CID 110646109) is (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is O=C(c1cscn1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ODGBHBZMKINJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c16-12-4-2-1-3-11(12)14(20)18-5-7-19(8-6-18)15(21)13-9-22-10-17-13/h1-4,9-10H,5-8H2.
What are the key properties of (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 319.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110646109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).