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

C16H19FN4OS — CID 119902970

IUPAC2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C16H19FN4OS/c17-13-3-1-12(2-4-13)16-19-14(11-23-16)10-20-5-7-21(8-6-20)15(22)9-18/h1-4,11H,5-10,18H2
InChIKeyCNCLCCJVQZAQPR-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.55
Rot. Bonds4

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

2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 119902970) has the molecular formula C16H19FN4OS and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID119902970
Molecular FormulaC16H19FN4OS
Molecular Weight334.42 g/mol
Exact Mass334.13
IUPAC Name2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESNCC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C16H19FN4OS/c17-13-3-1-12(2-4-13)16-19-14(11-23-16)10-20-5-7-21(8-6-20)15(22)9-18/h1-4,11H,5-10,18H2
InChIKeyCNCLCCJVQZAQPR-UHFFFAOYSA-N
XLogP1.55
TPSA62.46 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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
(1-benzoylpyrrolidin-2-yl)-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 112816942
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
1-pyrrolidin-1-yl-2-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 24628228
[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(5-methyl-1H-indazol-3-yl)methanone
CID 78864956
4-amino-3-methoxy-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 120595004
4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 136520575
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone (CID 119902970) is 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone is NCC(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is CNCLCCJVQZAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4OS/c17-13-3-1-12(2-4-13)16-19-14(11-23-16)10-20-5-7-21(8-6-20)15(22)9-18/h1-4,11H,5-10,18H2.
What are the key properties of 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 334.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 119902970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).