4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

C22H17N3O2S — CID 67379971

IUPAC4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C22H17N3O2S/c26-21(25-18-6-3-4-17(14-18)22-24-12-13-28-22)16-7-9-20(10-8-16)27-15-19-5-1-2-11-23-19/h1-14H,15H2,(H,25,26)
InChIKeyNDKUKXSMTJQSCM-UHFFFAOYSA-N
MW387.46 g/mol
LogP5.04
Rot. Bonds6

About 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide

4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 67379971) has the molecular formula C22H17N3O2S and a molecular weight of 387.46 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID67379971
Molecular FormulaC22H17N3O2S
Molecular Weight387.46 g/mol
Exact Mass387.10
IUPAC Name4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C22H17N3O2S/c26-21(25-18-6-3-4-17(14-18)22-24-12-13-28-22)16-7-9-20(10-8-16)27-15-19-5-1-2-11-23-19/h1-14H,15H2,(H,25,26)
InChIKeyNDKUKXSMTJQSCM-UHFFFAOYSA-N
XLogP5.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
6-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 66462496
4-[2,2-dimethyl-1-[4-(pyridin-2-ylmethoxy)phenyl]propyl]-N-(1,3-thiazol-2-yl)benzamide
CID 87464231
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[3-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55817726
3-phenylmethoxy-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33498503
2-chloro-N-[3-(1,3-thiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 61040465
4-(tert-butylsulfamoyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 33499844
4-(1,3-thiazol-4-ylmethoxy)-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]benzamide
CID 86878089
5-bromo-N-[3-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 47336929
1-benzyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545932
2-amino-N-[2-oxo-2-[3-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60928490
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide (CID 67379971) is 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nccs2)c1)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is NDKUKXSMTJQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2S/c26-21(25-18-6-3-4-17(14-18)22-24-12-13-28-22)16-7-9-20(10-8-16)27-15-19-5-1-2-11-23-19/h1-14H,15H2,(H,25,26).
What are the key properties of 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide?
4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 387.46 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 67379971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).