1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one

C21H21FN4OS — CID 110330025

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
SMILESO=C(CCc1csc(-c2ccncc2)n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21FN4OS/c22-18-3-1-2-4-19(18)25-11-13-26(14-12-25)20(27)6-5-17-15-28-21(24-17)16-7-9-23-10-8-16/h1-4,7-10,15H,5-6,11-14H2
InChIKeyYRBHCRRGJSQEGN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.63
Rot. Bonds5

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one (PubChem CID 110330025) has the molecular formula C21H21FN4OS and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
PubChem CID110330025
Molecular FormulaC21H21FN4OS
Molecular Weight396.49 g/mol
Exact Mass396.14
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
SMILESO=C(CCc1csc(-c2ccncc2)n1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C21H21FN4OS/c22-18-3-1-2-4-19(18)25-11-13-26(14-12-25)20(27)6-5-17-15-28-21(24-17)16-7-9-23-10-8-16/h1-4,7-10,15H,5-6,11-14H2
InChIKeyYRBHCRRGJSQEGN-UHFFFAOYSA-N
XLogP3.63
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-phenylpiperazin-1-yl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one
CID 110330015
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methyl-1,3-thiazol-4-yl)propan-1-one
CID 110332735
3-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110332890
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
N-(2-oxo-2-piperidin-1-ylethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110633537
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[2-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 110386231
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
3-phenyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 30463070
2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 110386746
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 110685207
3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 110333844
[4-(2-fluorophenyl)piperazin-1-yl]-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 36840265

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one (CID 110330025) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one is O=C(CCc1csc(-c2ccncc2)n1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one?
The InChIKey is YRBHCRRGJSQEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4OS/c22-18-3-1-2-4-19(18)25-11-13-26(14-12-25)20(27)6-5-17-15-28-21(24-17)16-7-9-23-10-8-16/h1-4,7-10,15H,5-6,11-14H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one has a molecular weight of 396.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propan-1-one is sourced from PubChem (CID 110330025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).