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

C24H24F6N4OS — CID 134408373

IUPAC(2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCC1NC(C(=O)N2CCCC(C(F)(F)F)C2CNc2ccc(C(F)(F)F)cn2)=C(c2ccccc2)S1
InChIInChI=1S/C24H24F6N4OS/c1-14-33-20(21(36-14)15-6-3-2-4-7-15)22(35)34-11-5-8-17(24(28,29)30)18(34)13-32-19-10-9-16(12-31-19)23(25,26)27/h2-4,6-7,9-10,12,14,17-18,33H,5,8,11,13H2,1H3,(H,31,32)
InChIKeyCWBBNSNBTBQTSS-UHFFFAOYSA-N
MW530.54 g/mol
LogP5.73
Rot. Bonds5

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

(2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (PubChem CID 134408373) has the molecular formula C24H24F6N4OS and a molecular weight of 530.54 g/mol. Its IUPAC name is (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
PubChem CID134408373
Molecular FormulaC24H24F6N4OS
Molecular Weight530.54 g/mol
Exact Mass530.16
IUPAC Name(2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
SMILESCC1NC(C(=O)N2CCCC(C(F)(F)F)C2CNc2ccc(C(F)(F)F)cn2)=C(c2ccccc2)S1
InChIInChI=1S/C24H24F6N4OS/c1-14-33-20(21(36-14)15-6-3-2-4-7-15)22(35)34-11-5-8-17(24(28,29)30)18(34)13-32-19-10-9-16(12-31-19)23(25,26)27/h2-4,6-7,9-10,12,14,17-18,33H,5,8,11,13H2,1H3,(H,31,32)
InChIKeyCWBBNSNBTBQTSS-UHFFFAOYSA-N
XLogP5.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.54
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

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N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
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N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
N-(5-fluoro-2-methylphenyl)-2-[4-(2-pyridinyl)piperazino]acetamide
CID 4568965
4-fluoro-N-[3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 16278323
N-(3-methylphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]acetamide
CID 4797946
1-[(2S)-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)urea
CID 9915804
3-(2,4-Dioxo-3,4,7,8-tetrahydro-2H,5H-thiopyrano[4,3-d]pyrimidin-1-yl)-N-{2-oxo-2-[4-(4-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-ethyl}-propionamide
CID 10230030
(R)-2-methyl-N-(4-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxamide
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4-(3-Methyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-trifluoromethyl-phenyl)-amide
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N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone (CID 134408373) is (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is CC1NC(C(=O)N2CCCC(C(F)(F)F)C2CNc2ccc(C(F)(F)F)cn2)=C(c2ccccc2)S1.
What is the InChIKey of (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
The InChIKey is CWBBNSNBTBQTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N4OS/c1-14-33-20(21(36-14)15-6-3-2-4-7-15)22(35)34-11-5-8-17(24(28,29)30)18(34)13-32-19-10-9-16(12-31-19)23(25,26)27/h2-4,6-7,9-10,12,14,17-18,33H,5,8,11,13H2,1H3,(H,31,32).
What are the key properties of (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone?
(2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone has a molecular weight of 530.54 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-2,3-dihydro-1,3-thiazol-4-yl)-[3-(trifluoromethyl)-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 134408373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).