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

C23H18FN3O2S — CID 46164923

IUPAC2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1
InChIInChI=1S/C23H18FN3O2S/c24-19-5-1-3-16(11-19)14-29-20-8-6-18(7-9-20)23-27-21(15-30-23)22(28)26-13-17-4-2-10-25-12-17/h1-12,15H,13-14H2,(H,26,28)
InChIKeyAFHCHGGPWPKPFJ-UHFFFAOYSA-N
MW419.48 g/mol
LogP4.85
Rot. Bonds7

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

2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 46164923) has the molecular formula C23H18FN3O2S and a molecular weight of 419.48 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID46164923
Molecular FormulaC23H18FN3O2S
Molecular Weight419.48 g/mol
Exact Mass419.11
IUPAC Name2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1
InChIInChI=1S/C23H18FN3O2S/c24-19-5-1-3-16(11-19)14-29-20-8-6-18(7-9-20)23-27-21(15-30-23)22(28)26-13-17-4-2-10-25-12-17/h1-12,15H,13-14H2,(H,26,28)
InChIKeyAFHCHGGPWPKPFJ-UHFFFAOYSA-N
XLogP4.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065670
2-[4-(2-methylpropoxy)phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42865899
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 42865798
N-benzyl-2-[2-fluoro-4-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066956
2-[4-[(3,4-difluorophenyl)methoxy]phenyl]-N-[(4-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46065856
2-[3-[(2-fluorophenyl)methoxy]phenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066422
N-benzyl-2-[4-[(2,6-difluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46065802
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066945
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 46067879
N-cyclopropyl-2-[3-[(3-fluorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 46066573
2-[4-[(3,5-difluorophenyl)methoxy]phenyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 42865871

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 46164923) is 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCc1cccnc1)c1csc(-c2ccc(OCc3cccc(F)c3)cc2)n1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AFHCHGGPWPKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2S/c24-19-5-1-3-16(11-19)14-29-20-8-6-18(7-9-20)23-27-21(15-30-23)22(28)26-13-17-4-2-10-25-12-17/h1-12,15H,13-14H2,(H,26,28).
What are the key properties of 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide?
2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46164923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).