2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole

C17H20F4N4S — CID 150582059

IUPAC2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2CCN(C=Cn3nc(C(F)F)cc3C(F)F)CC2)sc1C
InChIInChI=1S/C17H20F4N4S/c1-10-11(2)26-17(22-10)12-3-5-24(6-4-12)7-8-25-14(16(20)21)9-13(23-25)15(18)19/h7-9,12,15-16H,3-6H2,1-2H3
InChIKeyIOAQLHLQAHAXHK-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.14
Rot. Bonds5

About 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole

2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole (PubChem CID 150582059) has the molecular formula C17H20F4N4S and a molecular weight of 388.43 g/mol. Its IUPAC name is 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
PubChem CID150582059
Molecular FormulaC17H20F4N4S
Molecular Weight388.43 g/mol
Exact Mass388.13
IUPAC Name2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(C2CCN(C=Cn3nc(C(F)F)cc3C(F)F)CC2)sc1C
InChIInChI=1S/C17H20F4N4S/c1-10-11(2)26-17(22-10)12-3-5-24(6-4-12)7-8-25-14(16(20)21)9-13(23-25)15(18)19/h7-9,12,15-16H,3-6H2,1-2H3
InChIKeyIOAQLHLQAHAXHK-UHFFFAOYSA-N
XLogP5.14
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Cyclohexyl-4-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazole
CID 91643237
2,4-dimethyl-5-[[(3S)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 124616398
1-[4-(4-Ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 59140460
1-[4-[4-(Cyclohexylsulfanylmethyl)-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 66887157
4-(4-ethenyl-2-thiazolyl)-1-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]piperidine
CID 68742553
1-[4-(4-Ethynyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone
CID 86642047
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[N-(piperidin-1-yl)ethanimidoyl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanone
CID 86643691
1-[4-[4-[(E)-C-methyl-N-piperidin-1-ylcarbonimidoyl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 87399297
1-[4-[4-[(E)-hydroxyiminomethyl]-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 87411645
1-[4-(4-Ethanimidoyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 88890668
1-[4-[4-(Hydroxyiminomethyl)-5-methyl-1,3-thiazol-2-yl]piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 145834713
2-[1-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonitrile
CID 169965618

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole (CID 150582059) is 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole is Cc1nc(C2CCN(C=Cn3nc(C(F)F)cc3C(F)F)CC2)sc1C.
What is the InChIKey of 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
The InChIKey is IOAQLHLQAHAXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N4S/c1-10-11(2)26-17(22-10)12-3-5-24(6-4-12)7-8-25-14(16(20)21)9-13(23-25)15(18)19/h7-9,12,15-16H,3-6H2,1-2H3.
What are the key properties of 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole?
2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole has a molecular weight of 388.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[3,5-bis(difluoromethyl)pyrazol-1-yl]ethenyl]piperidin-4-yl]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 150582059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).