1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone

C16H19FN4OS — CID 110386231

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
SMILESCNc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C16H19FN4OS/c1-18-16-19-12(11-23-16)10-15(22)21-8-6-20(7-9-21)14-5-3-2-4-13(14)17/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyUTNJQBPMNQCCAG-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.22
Rot. Bonds4

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone (PubChem CID 110386231) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
PubChem CID110386231
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
SMILESCNc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1
InChIInChI=1S/C16H19FN4OS/c1-18-16-19-12(11-23-16)10-15(22)21-8-6-20(7-9-21)14-5-3-2-4-13(14)17/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyUTNJQBPMNQCCAG-UHFFFAOYSA-N
XLogP2.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 41158642
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
N-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 73338863
1-(4-benzylpiperazin-1-yl)-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386215
4-chloro-N-cyclopropyl-N-[2-[[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 4250046
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
N-[2-[[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclohexanecarboxamide
CID 3712836
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 41160004
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-[4-(2-chlorophenyl)piperazin-1-yl]ethanone
CID 30941883
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 20969017
(E)-N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 41160050

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone (CID 110386231) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone is CNc1nc(CC(=O)N2CCN(c3ccccc3F)CC2)cs1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone?
The InChIKey is UTNJQBPMNQCCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c1-18-16-19-12(11-23-16)10-15(22)21-8-6-20(7-9-21)14-5-3-2-4-13(14)17/h2-5,11H,6-10H2,1H3,(H,18,19).
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 110386231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).