2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone

C26H30ClN6O5S2+ — CID 139897877

About 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone

2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone (PubChem CID 139897877) has the molecular formula C26H30ClN6O5S2+ and a molecular weight of 606.15 g/mol. Its IUPAC name is 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
• PubChem CID: 139897877
• Molecular Formula: C26H30ClN6O5S2+
• Molecular Weight: 606.15 g/mol
• Exact Mass: 605.14
• IUPAC Name: 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone
• SMILES: C[n+]1ccc2c(c1)SC(C(=O)N1CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1CC(=O)N1CCOCC1)N2
• InChI: InChI=1S/C26H29ClN6O5S2/c1-30-5-4-21-22(16-30)39-25(29-21)26(35)33-7-6-32(15-19(33)14-24(34)31-8-10-38-11-9-31)40(36,37)23-13-17-12-18(27)2-3-20(17)28-23/h2-5,12-13,16,19,25,28H,6-11,14-15H2,1H3/p+1
• InChIKey: UASRECMZJFLLNR-UHFFFAOYSA-O
• XLogP: 1.64
• TPSA: 118.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	606.15
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?

The IUPAC name of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone (CID 139897877) is 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone.

What is the SMILES notation for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?

The canonical SMILES for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone is C[n+]1ccc2c(c1)SC(C(=O)N1CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1CC(=O)N1CCOCC1)N2.

What is the InChIKey of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?

The InChIKey is UASRECMZJFLLNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H29ClN6O5S2/c1-30-5-4-21-22(16-30)39-25(29-21)26(35)33-7-6-32(15-19(33)14-24(34)31-8-10-38-11-9-31)40(36,37)23-13-17-12-18(27)2-3-20(17)28-23/h2-5,12-13,16,19,25,28H,6-11,14-15H2,1H3/p+1.

What are the key properties of 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone?

2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 606.15 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-1,2-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)piperazin-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 139897877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).