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

C25H29ClN6O5S2 — CID 139897073

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

3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one (PubChem CID 139897073) has the molecular formula C25H29ClN6O5S2 and a molecular weight of 593.13 g/mol. Its IUPAC name is 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 139897073
• Molecular Formula: C25H29ClN6O5S2
• Molecular Weight: 593.13 g/mol
• Exact Mass: 592.13
• IUPAC Name: 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one
• SMILES: CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCN3CCOC3=O)sc2C1
• InChI: InChI=1S/C25H29ClN6O5S2/c1-29-6-5-20-21(15-29)38-23(28-20)24(33)32-9-8-31(14-18(32)4-7-30-10-11-37-25(30)34)39(35,36)22-13-16-12-17(26)2-3-19(16)27-22/h2-3,12-13,18,27H,4-11,14-15H2,1H3
• InChIKey: LIRWFSWVONNOLQ-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 119.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.13
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one (CID 139897073) is 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one is CN1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5cc(Cl)ccc5[nH]4)CC3CCN3CCOC3=O)sc2C1.

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

The InChIKey is LIRWFSWVONNOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6O5S2/c1-29-6-5-20-21(15-29)38-23(28-20)24(33)32-9-8-31(14-18(32)4-7-30-10-11-37-25(30)34)39(35,36)22-13-16-12-17(26)2-3-19(16)27-22/h2-3,12-13,18,27H,4-11,14-15H2,1H3.

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

3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 593.13 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)piperazin-2-yl]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139897073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).