2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium

C84H85N10S5+5 — CID 160682385

About 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium

2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium (PubChem CID 160682385) has the molecular formula C84H85N10S5+5 and a molecular weight of 1396.02 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium.

Molecular Properties

• Compound Name: 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium
• PubChem CID: 160682385
• Molecular Formula: C84H85N10S5+5
• Molecular Weight: 1396.02 g/mol
• Exact Mass: 1394.56
• IUPAC Name: 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium
• SMILES: Cc1ccccc1-c1c2sc(-c3ccccc3)nc2cc[n+]1C.Cc1ccccc1-c1c2sc(C(C)C)nc2cc[n+]1C.Cc1nc2cc[n+](C)c(-c3ccccc3C)c2s1.Cc1nc2cc[n+](C)c(-c3ccccc3C)c2s1.[2H]C(C)(C)c1nc2cc[n+](C)c(-c3ccccc3C)c2s1
• InChI: InChI=1S/C20H17N2S.2C17H19N2S.2C15H15N2S/c1-14-8-6-7-11-16(14)18-19-17(12-13-22(18)2)21-20(23-19)15-9-4-3-5-10-15;2*1-11(2)17-18-14-9-10-19(4)15(16(14)20-17)13-8-6-5-7-12(13)3;2*1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15/h3-13H,1-2H3;2*5-11H,1-4H3;2*4-9H,1-3H3/q5*+1/i;11D
• InChIKey: UXMMFGBEHWQOHH-QWGHAEIWSA-N
• XLogP: 20.01
• TPSA: 83.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1396.02
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium?

The IUPAC name of 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium (CID 160682385) is 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium.

What is the SMILES notation for 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium?

The canonical SMILES for 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium is Cc1ccccc1-c1c2sc(-c3ccccc3)nc2cc[n+]1C.Cc1ccccc1-c1c2sc(C(C)C)nc2cc[n+]1C.Cc1nc2cc[n+](C)c(-c3ccccc3C)c2s1.Cc1nc2cc[n+](C)c(-c3ccccc3C)c2s1.[2H]C(C)(C)c1nc2cc[n+](C)c(-c3ccccc3C)c2s1.

What is the InChIKey of 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium?

The InChIKey is UXMMFGBEHWQOHH-QWGHAEIWSA-N. The full InChI is InChI=1S/C20H17N2S.2C17H19N2S.2C15H15N2S/c1-14-8-6-7-11-16(14)18-19-17(12-13-22(18)2)21-20(23-19)15-9-4-3-5-10-15;2*1-11(2)17-18-14-9-10-19(4)15(16(14)20-17)13-8-6-5-7-12(13)3;2*1-10-6-4-5-7-12(10)14-15-13(8-9-17(14)3)16-11(2)18-15/h3-13H,1-2H3;2*5-11H,1-4H3;2*4-9H,1-3H3/q5*+1/i;11D;;;.

What are the key properties of 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium?

2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium has a molecular weight of 1396.02 g/mol, XLogP of 20.01, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-deuteriopropan-2-yl)-5-methyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium;bis(2,5-dimethyl-4-(2-methylphenyl)-[1,3]thiazolo[5,4-c]pyridin-5-ium);5-methyl-4-(2-methylphenyl)-2-phenyl-[1,3]thiazolo[5,4-c]pyridin-5-ium;5-methyl-4-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridin-5-ium is sourced from PubChem (CID 160682385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).