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

C16H18FN3OS — CID 56687365

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H18FN3OS/c17-13-3-1-2-4-14(13)19-8-10-20(11-9-19)16(21)6-5-15-18-7-12-22-15/h1-4,7,12H,5-6,8-11H2
InChIKeySQTRCPFBCCXWNJ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.56
Rot. Bonds4

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

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (PubChem CID 56687365) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
PubChem CID56687365
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nccs1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H18FN3OS/c17-13-3-1-2-4-14(13)19-8-10-20(11-9-19)16(21)6-5-15-18-7-12-22-15/h1-4,7,12H,5-6,8-11H2
InChIKeySQTRCPFBCCXWNJ-UHFFFAOYSA-N
XLogP2.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-thiazol-2-ylpiperidin-1-yl)-N-(m-tolyl)acetamide
CID 16094675
1-(4-Fluorophenyl)-4-[1-(1,3-thiazol-4-ylcarbonyl)-3-piperidinyl]piperazine
CID 24790331
N-(3-methylphenyl)-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 24817466
N-phenyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]propanamide
CID 42460383
(S)-N-(1-(2-amino-3-(thiazol-4-yl)propanoyl)piperidin-4-yl)-N-phenylpropionamide
CID 44425371
1-(4-Fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-2,5-dione
CID 2919299
N-[6-[(2-Amino-4-fluorophenyl)amino]-6-oxohexyl]-2-thiazolecarboxamide
CID 45136988
N-phenyl-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 14426410
N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 14426412
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 14426414
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(1,3-thiazol-2-yl)piperidin-4-yl]-N-(2-fluorophenyl)propanamide
CID 14426416
N-(4-fluorophenyl)-2-[methyl-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 26005741

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one (CID 56687365) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nccs1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
The InChIKey is SQTRCPFBCCXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-13-3-1-2-4-14(13)19-8-10-20(11-9-19)16(21)6-5-15-18-7-12-22-15/h1-4,7,12H,5-6,8-11H2.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one?
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one has a molecular weight of 319.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 56687365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).