6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

C23H16F3N3OS — CID 90448755

IUPAC6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)17-11-9-15(10-12-17)13-18-14-27-22(31-18)29-21(30)20-8-4-7-19(28-20)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,27,29,30)
InChIKeyLDJLDWITYDTTPD-UHFFFAOYSA-N
MW439.46 g/mol
LogP6.07
Rot. Bonds5

About 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide

6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (PubChem CID 90448755) has the molecular formula C23H16F3N3OS and a molecular weight of 439.46 g/mol. Its IUPAC name is 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
PubChem CID90448755
Molecular FormulaC23H16F3N3OS
Molecular Weight439.46 g/mol
Exact Mass439.10
IUPAC Name6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc(-c2ccccc2)n1
InChIInChI=1S/C23H16F3N3OS/c24-23(25,26)17-11-9-15(10-12-17)13-18-14-27-22(31-18)29-21(30)20-8-4-7-19(28-20)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,27,29,30)
InChIKeyLDJLDWITYDTTPD-UHFFFAOYSA-N
XLogP6.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.46
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 88549049
2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 78843675
2-phosphanyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 90448889
1-(3-nitrophenyl)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 90448775
3-[[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]carbamoylamino]propanoic acid
CID 122074623
(2S)-2-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]propanamide
CID 119278159
4-amino-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]butanamide
CID 119278170
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
4-acetyl-1-methyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
CID 78843674
5-oxo-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 78843673
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
CID 51152768

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The IUPAC name of 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide (CID 90448755) is 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cccc(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
The InChIKey is LDJLDWITYDTTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3OS/c24-23(25,26)17-11-9-15(10-12-17)13-18-14-27-22(31-18)29-21(30)20-8-4-7-19(28-20)16-5-2-1-3-6-16/h1-12,14H,13H2,(H,27,29,30).
What are the key properties of 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide?
6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide has a molecular weight of 439.46 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 90448755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).