N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide

C17H15N3O2S — CID 167930528

IUPACN-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2OCc2ccncc2)s1
InChIInChI=1S/C17H15N3O2S/c1-12-10-19-17(23-12)20-16(21)14-4-2-3-5-15(14)22-11-13-6-8-18-9-7-13/h2-10H,11H2,1H3,(H,19,20,21)
InChIKeyKQJIYVUOBHGXJX-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.68
Rot. Bonds5

About N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide

N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide (PubChem CID 167930528) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
PubChem CID167930528
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide
SMILESCc1cnc(NC(=O)c2ccccc2OCc2ccncc2)s1
InChIInChI=1S/C17H15N3O2S/c1-12-10-19-17(23-12)20-16(21)14-4-2-3-5-15(14)22-11-13-6-8-18-9-7-13/h2-10H,11H2,1H3,(H,19,20,21)
InChIKeyKQJIYVUOBHGXJX-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide (CID 167930528) is N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide is Cc1cnc(NC(=O)c2ccccc2OCc2ccncc2)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide?
The InChIKey is KQJIYVUOBHGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-12-10-19-17(23-12)20-16(21)14-4-2-3-5-15(14)22-11-13-6-8-18-9-7-13/h2-10H,11H2,1H3,(H,19,20,21).
What are the key properties of N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide?
N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide 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 N-(5-methyl-1,3-thiazol-2-yl)-2-(pyridin-4-ylmethoxy)benzamide is sourced from PubChem (CID 167930528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).