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

C20H18N4O2S2 — CID 55993180

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

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 55993180) has the molecular formula C20H18N4O2S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• PubChem CID: 55993180
• Molecular Formula: C20H18N4O2S2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.09
• IUPAC Name: N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide
• SMILES: Cc1csc(Sc2ccc(NC(=O)c3cccc(N4CCNC4=O)c3)cc2)n1
• InChI: InChI=1S/C20H18N4O2S2/c1-13-12-27-20(22-13)28-17-7-5-15(6-8-17)23-18(25)14-3-2-4-16(11-14)24-10-9-21-19(24)26/h2-8,11-12H,9-10H2,1H3,(H,21,26)(H,23,25)
• InChIKey: REWWUCBUPYNZFF-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?

The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide (CID 55993180) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide.

What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?

The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide is Cc1csc(Sc2ccc(NC(=O)c3cccc(N4CCNC4=O)c3)cc2)n1.

What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?

The InChIKey is REWWUCBUPYNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S2/c1-13-12-27-20(22-13)28-17-7-5-15(6-8-17)23-18(25)14-3-2-4-16(11-14)24-10-9-21-19(24)26/h2-8,11-12H,9-10H2,1H3,(H,21,26)(H,23,25).

What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide?

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 410.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-3-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 55993180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).