2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide

C28H34ClN7O6S2 — CID 139898140

About 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide

2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide (PubChem CID 139898140) has the molecular formula C28H34ClN7O6S2 and a molecular weight of 664.21 g/mol. Its IUPAC name is 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide.

Molecular Properties

• Compound Name: 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide
• PubChem CID: 139898140
• Molecular Formula: C28H34ClN7O6S2
• Molecular Weight: 664.21 g/mol
• Exact Mass: 663.17
• IUPAC Name: 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide
• SMILES: CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4[nH]c5ccc(Cl)cc5c4CC(N)=O)CC3CC(=O)N3CCOCC3)sc2C1
• InChI: InChI=1S/C28H34ClN7O6S2/c1-33-5-4-22-23(16-33)43-26(31-22)28(39)36-7-6-35(15-18(36)13-25(38)34-8-10-42-11-9-34)44(40,41)27-20(14-24(30)37)19-12-17(29)2-3-21(19)32-27/h2-3,12,18,32H,4-11,13-16H2,1H3,(H2,30,37)
• InChIKey: HQOCMLSBEOSNEX-UHFFFAOYSA-N
• XLogP: 1.06
• TPSA: 162.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	664.21
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide?

The IUPAC name of 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide (CID 139898140) is 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide.

What is the SMILES notation for 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide?

The canonical SMILES for 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4[nH]c5ccc(Cl)cc5c4CC(N)=O)CC3CC(=O)N3CCOCC3)sc2C1.

What is the InChIKey of 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide?

The InChIKey is HQOCMLSBEOSNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O6S2/c1-33-5-4-22-23(16-33)43-26(31-22)28(39)36-7-6-35(15-18(36)13-25(38)34-8-10-42-11-9-34)44(40,41)27-20(14-24(30)37)19-12-17(29)2-3-21(19)32-27/h2-3,12,18,32H,4-11,13-16H2,1H3,(H2,30,37).

What are the key properties of 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide?

2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide has a molecular weight of 664.21 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-chloro-2-[4-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]sulfonyl-1H-indol-3-yl]acetamide is sourced from PubChem (CID 139898140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).