[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone

C22H22ClN4O4S2- — CID 22711230

About [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone (PubChem CID 22711230) has the molecular formula C22H22ClN4O4S2- and a molecular weight of 506.03 g/mol. Its IUPAC name is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone.

Molecular Properties

• Compound Name: [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
• PubChem CID: 22711230
• Molecular Formula: C22H22ClN4O4S2-
• Molecular Weight: 506.03 g/mol
• Exact Mass: 505.08
• IUPAC Name: [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
• SMILES: CC1Cc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)sc2CN1[O-]
• InChI: InChI=1S/C22H22ClN4O4S2/c1-14-10-19-20(13-27(14)29)32-21(24-19)22(28)25-6-8-26(9-7-25)33(30,31)18-5-3-15-11-17(23)4-2-16(15)12-18/h2-5,11-12,14H,6-10,13H2,1H3/q-1
• InChIKey: HPGRKBWSLVBRCI-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 96.88 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.03
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?

The IUPAC name of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone (CID 22711230) is [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone.

What is the SMILES notation for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?

The canonical SMILES for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone is CC1Cc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)sc2CN1[O-].

What is the InChIKey of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?

The InChIKey is HPGRKBWSLVBRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN4O4S2/c1-14-10-19-20(13-27(14)29)32-21(24-19)22(28)25-6-8-26(9-7-25)33(30,31)18-5-3-15-11-17(23)4-2-16(15)12-18/h2-5,11-12,14H,6-10,13H2,1H3/q-1.

What are the key properties of [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone?

[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone has a molecular weight of 506.03 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(6-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone is sourced from PubChem (CID 22711230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).