5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide

C24H26Cl2N4O4S2 — CID 89181531

About 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 89181531) has the molecular formula C24H26Cl2N4O4S2 and a molecular weight of 569.54 g/mol. Its IUPAC name is 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide
• PubChem CID: 89181531
• Molecular Formula: C24H26Cl2N4O4S2
• Molecular Weight: 569.54 g/mol
• Exact Mass: 568.08
• IUPAC Name: 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide
• SMILES: NC(=O)c1cc(C2=CSC(SCC(=O)NC[C@H]3CN(Cc4ccc(Cl)c(Cl)c4)CCO3)N2)ccc1O
• InChI: InChI=1S/C24H26Cl2N4O4S2/c25-18-3-1-14(7-19(18)26)10-30-5-6-34-16(11-30)9-28-22(32)13-36-24-29-20(12-35-24)15-2-4-21(31)17(8-15)23(27)33/h1-4,7-8,12,16,24,29,31H,5-6,9-11,13H2,(H2,27,33)(H,28,32)/t16-,24?/m0/s1
• InChIKey: ODRPMFLTVNEKEZ-FXIRQEPWSA-N
• XLogP: 3.47
• TPSA: 116.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.54
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide?

The IUPAC name of 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 89181531) is 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide.

What is the SMILES notation for 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide?

The canonical SMILES for 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide is NC(=O)c1cc(C2=CSC(SCC(=O)NC[C@H]3CN(Cc4ccc(Cl)c(Cl)c4)CCO3)N2)ccc1O.

What is the InChIKey of 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide?

The InChIKey is ODRPMFLTVNEKEZ-FXIRQEPWSA-N. The full InChI is InChI=1S/C24H26Cl2N4O4S2/c25-18-3-1-14(7-19(18)26)10-30-5-6-34-16(11-30)9-28-22(32)13-36-24-29-20(12-35-24)15-2-4-21(31)17(8-15)23(27)33/h1-4,7-8,12,16,24,29,31H,5-6,9-11,13H2,(H2,27,33)(H,28,32)/t16-,24?/m0/s1.

What are the key properties of 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide?

5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 569.54 g/mol, XLogP of 3.47, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 89181531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).