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

C19H24Cl2N4O3S2 — CID 143197724

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

2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide (PubChem CID 143197724) has the molecular formula C19H24Cl2N4O3S2 and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide
• PubChem CID: 143197724
• Molecular Formula: C19H24Cl2N4O3S2
• Molecular Weight: 491.47 g/mol
• Exact Mass: 490.07
• IUPAC Name: 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide
• SMILES: NC(=O)CC1CSC(SCC(=O)NC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)CCO2)=N1
• InChI: InChI=1S/C19H24Cl2N4O3S2/c20-13-3-12(4-14(21)5-13)8-25-1-2-28-16(9-25)7-23-18(27)11-30-19-24-15(10-29-19)6-17(22)26/h3-5,15-16H,1-2,6-11H2,(H2,22,26)(H,23,27)/t15?,16-/m0/s1
• InChIKey: PCKUMAIAYMDDII-LYKKTTPLSA-N
• XLogP: 2.39
• TPSA: 97.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide (CID 143197724) is 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide.

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

The canonical SMILES for 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide is NC(=O)CC1CSC(SCC(=O)NC[C@H]2CN(Cc3cc(Cl)cc(Cl)c3)CCO2)=N1.

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

The InChIKey is PCKUMAIAYMDDII-LYKKTTPLSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3S2/c20-13-3-12(4-14(21)5-13)8-25-1-2-28-16(9-25)7-23-18(27)11-30-19-24-15(10-29-19)6-17(22)26/h3-5,15-16H,1-2,6-11H2,(H2,22,26)(H,23,27)/t15?,16-/m0/s1.

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

2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide has a molecular weight of 491.47 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 143197724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).