3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C22H18N4OS — CID 169412103

IUPAC3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1ccc(-c2cccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)c2)nn1
InChIInChI=1S/C22H18N4OS/c1-14-9-10-20(26-25-14)16-5-3-7-18(11-16)22(27)24-19-8-4-6-17(12-19)21-13-28-15(2)23-21/h3-13H,1-2H3,(H,24,27)
InChIKeyJDUHTEKVWOHJEW-UHFFFAOYSA-N
MW386.48 g/mol
LogP5.14
Rot. Bonds4

About 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 169412103) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID169412103
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1ccc(-c2cccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)c2)nn1
InChIInChI=1S/C22H18N4OS/c1-14-9-10-20(26-25-14)16-5-3-7-18(11-16)22(27)24-19-8-4-6-17(12-19)21-13-28-15(2)23-21/h3-13H,1-2H3,(H,24,27)
InChIKeyJDUHTEKVWOHJEW-UHFFFAOYSA-N
XLogP5.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 70899033
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46492108
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 43699209
4-(1,3-dithiolan-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 46807139
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 169412103) is 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1ccc(-c2cccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)c2)nn1.
What is the InChIKey of 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is JDUHTEKVWOHJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c1-14-9-10-20(26-25-14)16-5-3-7-18(11-16)22(27)24-19-8-4-6-17(12-19)21-13-28-15(2)23-21/h3-13H,1-2H3,(H,24,27).
What are the key properties of 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 386.48 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 169412103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).