2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole

C15H16F2N2S — CID 77095750

IUPAC2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
SMILESFC1(F)CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H16F2N2S/c16-15(17)6-8-19(9-7-15)10-14-18-13(11-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyIHGXHSWCKWYPSZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.04
Rot. Bonds3

About 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole

2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole (PubChem CID 77095750) has the molecular formula C15H16F2N2S and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
PubChem CID77095750
Molecular FormulaC15H16F2N2S
Molecular Weight294.37 g/mol
Exact Mass294.10
IUPAC Name2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole
SMILESFC1(F)CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C15H16F2N2S/c16-15(17)6-8-19(9-7-15)10-14-18-13(11-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyIHGXHSWCKWYPSZ-UHFFFAOYSA-N
XLogP4.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-4-phenyl-1,3-thiazole;methane
CID 158416700
1'-[(4-phenyl-1,3-thiazol-2-yl)methyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 44561302
(5S)-3-methyl-7-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 99956366
1-(azepan-1-yl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 30485899
4-[(2-fluorophenyl)methyl]-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,4-diazepan-5-one
CID 29149467
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 30463446
2-[[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]-4-phenyl-1,3-thiazole
CID 171690826
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914
4-[2-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]aniline
CID 70524977
4-naphthalen-2-yl-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84566788
(3S,4R)-4-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1,4-diazepan-1-yl]oxolan-3-ol
CID 133133988
(3S,4S)-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045436

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole?
The IUPAC name of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole (CID 77095750) is 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole is FC1(F)CCN(Cc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole?
The InChIKey is IHGXHSWCKWYPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2S/c16-15(17)6-8-19(9-7-15)10-14-18-13(11-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole?
2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole has a molecular weight of 294.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenyl-1,3-thiazole is sourced from PubChem (CID 77095750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).