[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

C24H24F4N4OS — CID 71715104

IUPAC[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)N2C(C)CCCC2CNc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)22-21(31-15(2)34-22)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)
InChIKeyLQOJNRYUULRMMV-UHFFFAOYSA-N
MW492.54 g/mol
LogP6.17
Rot. Bonds5

About [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone

[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 71715104) has the molecular formula C24H24F4N4OS and a molecular weight of 492.54 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID71715104
Molecular FormulaC24H24F4N4OS
Molecular Weight492.54 g/mol
Exact Mass492.16
IUPAC Name[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)c(C(=O)N2C(C)CCCC2CNc2ccc(C(F)(F)F)cn2)s1
InChIInChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)22-21(31-15(2)34-22)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30)
InChIKeyLQOJNRYUULRMMV-UHFFFAOYSA-N
XLogP6.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[2-methyl-5-(4-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 130342272
tert-butyl 2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyrrolidine-1-carboxylate;ethane
CID 155735409
[(2S)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[5-(4-methoxyphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 167042725
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 28819878
tert-butyl (2S)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 170977694
tert-butyl 3-[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]propanoate
CID 160976133
[2-[2-(5-chloropyrimidin-2-yl)ethyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 159447392
[(2S,3R)-3-ethyl-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
CID 71715614
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[3-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]methanone
CID 123481519
[(3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 130342269
[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[2-[(quinoxalin-2-ylamino)methyl]piperidin-1-yl]methanone
CID 10276421
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 130341606

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 71715104) is [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is Cc1nc(-c2ccc(F)cc2)c(C(=O)N2C(C)CCCC2CNc2ccc(C(F)(F)F)cn2)s1.
What is the InChIKey of [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is LQOJNRYUULRMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4OS/c1-14-4-3-5-19(13-30-20-11-8-17(12-29-20)24(26,27)28)32(14)23(33)22-21(31-15(2)34-22)16-6-9-18(25)10-7-16/h6-12,14,19H,3-5,13H2,1-2H3,(H,29,30).
What are the key properties of [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 492.54 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-[2-methyl-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 71715104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).