N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

C24H18F3N3O2S — CID 46067163

IUPACN-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H18F3N3O2S/c25-24(26,27)18-9-7-16(8-10-18)14-32-21-6-2-1-5-19(21)23-30-20(15-33-23)22(31)29-13-17-4-3-11-28-12-17/h1-12,15H,13-14H2,(H,29,31)
InChIKeyCVZRKCPOHITRPY-UHFFFAOYSA-N
MW469.49 g/mol
LogP5.73
Rot. Bonds7

About N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 46067163) has the molecular formula C24H18F3N3O2S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID46067163
Molecular FormulaC24H18F3N3O2S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C24H18F3N3O2S/c25-24(26,27)18-9-7-16(8-10-18)14-32-21-6-2-1-5-19(21)23-30-20(15-33-23)22(31)29-13-17-4-3-11-28-12-17/h1-12,15H,13-14H2,(H,29,31)
InChIKeyCVZRKCPOHITRPY-UHFFFAOYSA-N
XLogP5.73
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.49
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46067162
2-[2-[(2-fluorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 42866302
N-(pyridin-4-ylmethyl)-2-[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066387
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46164923
N-[4-[[[2-(2-phenylmethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]carbamoyl]phenyl]pyridine-4-carboxamide
CID 70096084
2-[(4-fluorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 8851794
N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34360937
N-(furan-2-ylmethyl)-2-[3-methoxy-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066056
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
N-(furan-2-ylmethyl)-2-[2-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42866415
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 46067163) is N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is O=C(NCc1cccnc1)c1csc(-c2ccccc2OCc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is CVZRKCPOHITRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O2S/c25-24(26,27)18-9-7-16(8-10-18)14-32-21-6-2-1-5-19(21)23-30-20(15-33-23)22(31)29-13-17-4-3-11-28-12-17/h1-12,15H,13-14H2,(H,29,31).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 5.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46067163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).