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

C78H81N10S5+5 — CID 159995790

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

2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium (PubChem CID 159995790) has the molecular formula C78H81N10S5+5 and a molecular weight of 1319.92 g/mol. Its IUPAC name is 2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium.

Molecular Properties

• Compound Name: 2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
• PubChem CID: 159995790
• Molecular Formula: C78H81N10S5+5
• Molecular Weight: 1319.92 g/mol
• Exact Mass: 1318.53
• IUPAC Name: 2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
• SMILES: Cc1ccccc1-c1ccc2sc(C(C)C)nc2[n+]1C.Cc1ccccc1-c1ccc2scnc2[n+]1C.Cc1nc2c(ccc(-c3ccccc3C)[n+]2C)s1.Cc1nc2c(ccc(-c3ccccc3C)[n+]2C)s1.[2H]C(C)(C)c1nc2c(ccc(-c3ccccc3C)[n+]2C)s1
• InChI: InChI=1S/2C17H19N2S.2C15H15N2S.C14H13N2S/c2*1-11(2)17-18-16-15(20-17)10-9-14(19(16)4)13-8-6-5-7-12(13)3;2*1-10-6-4-5-7-12(10)13-8-9-14-15(17(13)3)16-11(2)18-14;1-10-5-3-4-6-11(10)12-7-8-13-14(16(12)2)15-9-17-13/h2*5-11H,1-4H3;2*4-9H,1-3H3;3-9H,1-2H3/q5*+1/i11D
• InChIKey: GRAKCDHGZFIUEX-MWKZDXGDSA-N
• XLogP: 18.34
• TPSA: 83.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1319.92
LogP ≤ 5	18.34
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)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?

The IUPAC name of 2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium (CID 159995790) is 2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium.

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

The canonical SMILES for 2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium is Cc1ccccc1-c1ccc2sc(C(C)C)nc2[n+]1C.Cc1ccccc1-c1ccc2scnc2[n+]1C.Cc1nc2c(ccc(-c3ccccc3C)[n+]2C)s1.Cc1nc2c(ccc(-c3ccccc3C)[n+]2C)s1.[2H]C(C)(C)c1nc2c(ccc(-c3ccccc3C)[n+]2C)s1.

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

The InChIKey is GRAKCDHGZFIUEX-MWKZDXGDSA-N. The full InChI is InChI=1S/2C17H19N2S.2C15H15N2S.C14H13N2S/c2*1-11(2)17-18-16-15(20-17)10-9-14(19(16)4)13-8-6-5-7-12(13)3;2*1-10-6-4-5-7-12(10)13-8-9-14-15(17(13)3)16-11(2)18-14;1-10-5-3-4-6-11(10)12-7-8-13-14(16(12)2)15-9-17-13/h2*5-11H,1-4H3;2*4-9H,1-3H3;3-9H,1-2H3/q5*+1/i11D;;;;.

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

2-(2-deuteriopropan-2-yl)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium has a molecular weight of 1319.92 g/mol, XLogP of 18.34, 7 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)-4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;bis(2,4-dimethyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);4-methyl-5-(2-methylphenyl)-2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2-methylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 159995790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).