2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide

C24H18F4N4OS — CID 142937226

IUPAC2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1Nc1nc(Cc2cccnc2)cs1
InChIInChI=1S/C24H18F4N4OS/c1-14-4-6-17(30-22(33)19-10-16(24(26,27)28)5-7-20(19)25)11-21(14)32-23-31-18(13-34-23)9-15-3-2-8-29-12-15/h2-8,10-13H,9H2,1H3,(H,30,33)(H,31,32)
InChIKeyWMXYOJOURWILCZ-UHFFFAOYSA-N
MW486.49 g/mol
LogP6.59
Rot. Bonds6

About 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide

2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 142937226) has the molecular formula C24H18F4N4OS and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
PubChem CID142937226
Molecular FormulaC24H18F4N4OS
Molecular Weight486.49 g/mol
Exact Mass486.11
IUPAC Name2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1Nc1nc(Cc2cccnc2)cs1
InChIInChI=1S/C24H18F4N4OS/c1-14-4-6-17(30-22(33)19-10-16(24(26,27)28)5-7-20(19)25)11-21(14)32-23-31-18(13-34-23)9-15-3-2-8-29-12-15/h2-8,10-13H,9H2,1H3,(H,30,33)(H,31,32)
InChIKeyWMXYOJOURWILCZ-UHFFFAOYSA-N
XLogP6.59
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.49
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
4-(hydroxymethyl)-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 10319726
1-N-pentyl-4-N-[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 58791725
2-fluoro-N-(3-fluoro-4-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103874425
N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-4-propan-2-yloxybenzamide
CID 10478636
1-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(3,4,5-trimethylphenyl)urea
CID 57473566
1-(4-methylphenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 10432011
ethane;4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 144702954
CID 89305752
CID 89305752
1-(2-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea;1-(2-fluorophenyl)-3-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]urea
CID 158018079
4-methyl-N-[3-(1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 51030715

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide (CID 142937226) is 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2F)cc1Nc1nc(Cc2cccnc2)cs1.
What is the InChIKey of 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is WMXYOJOURWILCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4OS/c1-14-4-6-17(30-22(33)19-10-16(24(26,27)28)5-7-20(19)25)11-21(14)32-23-31-18(13-34-23)9-15-3-2-8-29-12-15/h2-8,10-13H,9H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 486.49 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-methyl-3-[[4-(pyridin-3-ylmethyl)-1,3-thiazol-2-yl]amino]phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 142937226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).