2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

C45H34F6N6OS3 — CID 159715924

IUPAC2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Cc1cccc(Cc2nc(-c3cncc(-c4csc(Cc5cccc(C(F)(F)F)c5)n4)c3)cs2)c1
InChIInChI=1S/C27H20F3N3S2.C18H14F3N3OS/c1-17-4-2-5-18(8-17)10-25-32-23(15-34-25)20-12-21(14-31-13-20)24-16-35-26(33-24)11-19-6-3-7-22(9-19)27(28,29)30;1-11(25)23-16-6-5-13(9-22-16)15-10-26-17(24-15)8-12-3-2-4-14(7-12)18(19,20)21/h2-9,12-16H,10-11H2,1H3;2-7,9-10H,8H2,1H3,(H,22,23,25)
InChIKeyMZKSTJDFGBTISZ-UHFFFAOYSA-N
MW885.00 g/mol
LogP12.61
Rot. Bonds10

About 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide

2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (PubChem CID 159715924) has the molecular formula C45H34F6N6OS3 and a molecular weight of 885.00 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
PubChem CID159715924
Molecular FormulaC45H34F6N6OS3
Molecular Weight885.00 g/mol
Exact Mass884.19
IUPAC Name2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Cc1cccc(Cc2nc(-c3cncc(-c4csc(Cc5cccc(C(F)(F)F)c5)n4)c3)cs2)c1
InChIInChI=1S/C27H20F3N3S2.C18H14F3N3OS/c1-17-4-2-5-18(8-17)10-25-32-23(15-34-25)20-12-21(14-31-13-20)24-16-35-26(33-24)11-19-6-3-7-22(9-19)27(28,29)30;1-11(25)23-16-6-5-13(9-22-16)15-10-26-17(24-15)8-12-3-2-4-14(7-12)18(19,20)21/h2-9,12-16H,10-11H2,1H3;2-7,9-10H,8H2,1H3,(H,22,23,25)
InChIKeyMZKSTJDFGBTISZ-UHFFFAOYSA-N
XLogP12.61
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.00
LogP ≤ 512.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
CID 9924607
N-[4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]acetamide
CID 9945764
N-[4-(2-Ethyl-4-m-tolyl-thiazol-5-yl)-pyridin-2-yl]-3-phenyl-propionamide
CID 10274130
N-(4-Methylpyridin-2-YL)-2-[2-(4-phenyl-1,3-thiazol-2-YL)-1H-pyrrol-1-YL]acetamide
CID 53037410
4-[4-[5-[2-[3,5-bis(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-3-pyridinyl]phenyl]-N-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 139227757
N-(6-Methylpyridin-2-YL)-2-[2-(4-phenyl-1,3-thiazol-2-YL)-1H-pyrrol-1-YL]acetamide
CID 53011972
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 16567673
N-[4-[2-(4-Fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]phenylacetamide
CID 10162791
N-[4-[2-(4-Fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-YL]-2-pyridyl]-3-phenylpropanamide
CID 10206833
N-{4-[2-Ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl}-3-(4-fluorophenyl)propanamide
CID 21964237
1-Ethyl-3-(5'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridin-6-yl)urea
CID 44205636
1-Ethyl-3-(4-(4-(trifluoromethyl)thiazol-2-yl)-3,3'-bipyridin-6-yl)urea
CID 44205859

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide (CID 159715924) is 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)cn1.Cc1cccc(Cc2nc(-c3cncc(-c4csc(Cc5cccc(C(F)(F)F)c5)n4)c3)cs2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
The InChIKey is MZKSTJDFGBTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3S2.C18H14F3N3OS/c1-17-4-2-5-18(8-17)10-25-32-23(15-34-25)20-12-21(14-31-13-20)24-16-35-26(33-24)11-19-6-3-7-22(9-19)27(28,29)30;1-11(25)23-16-6-5-13(9-22-16)15-10-26-17(24-15)8-12-3-2-4-14(7-12)18(19,20)21/h2-9,12-16H,10-11H2,1H3;2-7,9-10H,8H2,1H3,(H,22,23,25).
What are the key properties of 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide?
2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide has a molecular weight of 885.00 g/mol, XLogP of 12.61, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-4-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-3-pyridinyl]-1,3-thiazole;N-[5-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159715924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).