N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide

C23H18Cl2N4OS2 — CID 20635386

About N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide

N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide (PubChem CID 20635386) has the molecular formula C23H18Cl2N4OS2 and a molecular weight of 501.46 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide.

Molecular Properties

• Compound Name: N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide
• PubChem CID: 20635386
• Molecular Formula: C23H18Cl2N4OS2
• Molecular Weight: 501.46 g/mol
• Exact Mass: 500.03
• IUPAC Name: N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide
• SMILES: Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C23H18Cl2N4OS2/c1-14-5-6-18(31-21-13-28-23(32-21)29-20-4-2-3-7-26-20)11-19(14)22(30)27-12-15-8-16(24)10-17(25)9-15/h2-11,13H,12H2,1H3,(H,27,30)(H,26,28,29)
• InChIKey: GWDASSPKDLXAGY-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 66.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.46
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide?

The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide (CID 20635386) is N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide.

What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide?

The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide is Cc1ccc(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)NCc1cc(Cl)cc(Cl)c1.

What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide?

The InChIKey is GWDASSPKDLXAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4OS2/c1-14-5-6-18(31-21-13-28-23(32-21)29-20-4-2-3-7-26-20)11-19(14)22(30)27-12-15-8-16(24)10-17(25)9-15/h2-11,13H,12H2,1H3,(H,27,30)(H,26,28,29).

What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide?

N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide has a molecular weight of 501.46 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]sulfanyl]benzamide is sourced from PubChem (CID 20635386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).