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

C18H21FN2OS — CID 110333046

IUPAC3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCc2csc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H21FN2OS/c1-13-3-2-10-21(11-13)17(22)9-8-16-12-23-18(20-16)14-4-6-15(19)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyACBWODBAPMHSAX-UHFFFAOYSA-N
MW332.44 g/mol
LogP4.14
Rot. Bonds4

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

3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 110333046) has the molecular formula C18H21FN2OS and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID110333046
Molecular FormulaC18H21FN2OS
Molecular Weight332.44 g/mol
Exact Mass332.14
IUPAC Name3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)CCc2csc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C18H21FN2OS/c1-13-3-2-10-21(11-13)17(22)9-8-16-12-23-18(20-16)14-4-6-15(19)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3
InChIKeyACBWODBAPMHSAX-UHFFFAOYSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-1-one
CID 110333036
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51564093
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-(4-fluorophenyl)-3-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 44922369
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837945
1-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089550
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 110333425
1-[3-(methylamino)piperidin-1-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 119488489
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1-piperidin-1-ylpropan-1-one
CID 110333427
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one (CID 110333046) is 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)CCc2csc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ACBWODBAPMHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2OS/c1-13-3-2-10-21(11-13)17(22)9-8-16-12-23-18(20-16)14-4-6-15(19)7-5-14/h4-7,12-13H,2-3,8-11H2,1H3.
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one?
3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 332.44 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 110333046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).