4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide

Name: 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉N₃OS — CID 154842057

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide

SMILESCc1ccc(-c2ccc(C(=O)NC3CSCC3C)cc2)nn1

InChIInChI=1S/C17H19N3OS/c1-11-9-22-10-16(11)18-17(21)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-8,11,16H,9-10H2,1-2H3,(H,18,21)

InChIKeyBDJQGQZYRXCMNE-UHFFFAOYSA-N

MW313.43 g/mol

LogP2.93

Rot. Bonds3

About 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide

4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide (PubChem CID 154842057) has the molecular formula C₁₇H₁₉N₃OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide.

Molecular Properties

Compound Name	4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
PubChem CID	154842057
Molecular Formula	C₁₇H₁₉N₃OS
Molecular Weight	313.43 g/mol
Exact Mass	313.12
IUPAC Name	4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide
SMILES	Cc1ccc(-c2ccc(C(=O)NC3CSCC3C)cc2)nn1
InChI	InChI=1S/C17H19N3OS/c1-11-9-22-10-16(11)18-17(21)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-8,11,16H,9-10H2,1-2H3,(H,18,21)
InChIKey	BDJQGQZYRXCMNE-UHFFFAOYSA-N
XLogP	2.93
TPSA	54.88 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.43
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?

The IUPAC name of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide (CID 154842057) is 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide.

What is the SMILES notation for 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?

The canonical SMILES for 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide is Cc1ccc(-c2ccc(C(=O)NC3CSCC3C)cc2)nn1.

What is the InChIKey of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?

The InChIKey is BDJQGQZYRXCMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-11-9-22-10-16(11)18-17(21)14-6-4-13(5-7-14)15-8-3-12(2)19-20-15/h3-8,11,16H,9-10H2,1-2H3,(H,18,21).

What are the key properties of 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide?

4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide has a molecular weight of 313.43 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-methylpyridazin-3-yl)-N-(4-methylthiolan-3-yl)benzamide is sourced from PubChem (CID 154842057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154842057 — identifiers, structure, computed properties (public domain)

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