4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide

C17H15N3O2S — CID 27700367

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccncc3)cc2)cs1
InChIInChI=1S/C17H15N3O2S/c1-12-19-15(11-23-12)10-22-16-4-2-13(3-5-16)17(21)20-14-6-8-18-9-7-14/h2-9,11H,10H2,1H3,(H,18,20,21)
InChIKeyZMGBAEQKIQOEBV-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.68
Rot. Bonds5

About 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide (PubChem CID 27700367) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
PubChem CID27700367
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide
SMILESCc1nc(COc2ccc(C(=O)Nc3ccncc3)cc2)cs1
InChIInChI=1S/C17H15N3O2S/c1-12-19-15(11-23-12)10-22-16-4-2-13(3-5-16)17(21)20-14-6-8-18-9-7-14/h2-9,11H,10H2,1H3,(H,18,20,21)
InChIKeyZMGBAEQKIQOEBV-UHFFFAOYSA-N
XLogP3.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
N-methyl-4-[[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]benzamide
CID 9158663
N-(3-fluorophenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9068043
N-(2,3-dihydro-1H-inden-5-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9047146
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(4-morpholin-4-ylphenyl)benzamide
CID 39967725
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(3-nitrophenyl)benzamide
CID 9040817
N-(3-fluoro-4-pyrazol-1-ylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55820396
N-(1-methylpyrazol-3-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16622072
N-(5-tert-butyl-2-hydroxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 29265468
3,4-dimethoxy-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]benzohydrazide
CID 34253937
N-benzyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043200
N-[(4-methylphenyl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9046820

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide (CID 27700367) is 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide is Cc1nc(COc2ccc(C(=O)Nc3ccncc3)cc2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
The InChIKey is ZMGBAEQKIQOEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-19-15(11-23-12)10-22-16-4-2-13(3-5-16)17(21)20-14-6-8-18-9-7-14/h2-9,11H,10H2,1H3,(H,18,20,21).
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide?
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide has a molecular weight of 325.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 27700367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).