bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium

C101H127N10OS4+5 — CID 159909496

About bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium

bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium (PubChem CID 159909496) has the molecular formula C101H127N10OS4+5 and a molecular weight of 1625.46 g/mol. Its IUPAC name is bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium.

Molecular Properties

• Compound Name: bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
• PubChem CID: 159909496
• Molecular Formula: C101H127N10OS4+5
• Molecular Weight: 1625.46 g/mol
• Exact Mass: 1623.90
• IUPAC Name: bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium
• SMILES: C.C.C.C.Cc1cc(C)c(C)c(-c2c3nc(-c4c(C(C)C)cccc4C(C)C)oc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3sc(C(C)C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3sc(C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3sc(C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3scnc3[n+]2C)c1
• InChI: InChI=1S/C28H33N2O.C19H23N2S.2C17H19N2S.C16H17N2S.4CH4/c1-16(2)21-10-9-11-22(17(3)4)25(21)28-29-26-24(31-28)12-13-30(8)27(26)23-15-18(5)14-19(6)20(23)7;1-11(2)19-20-18-17(22-19)8-7-16(21(18)6)15-10-12(3)9-13(4)14(15)5;2*1-10-8-11(2)12(3)14(9-10)15-6-7-16-17(19(15)5)18-13(4)20-16;1-10-7-11(2)12(3)13(8-10)14-5-6-15-16(18(14)4)17-9-19-15;;;;/h9-17H,1-8H3;7-11H,1-6H3;2*6-9H,1-5H3;5-9H,1-4H3;4*1H4/q5*+1
• InChIKey: GADMVELAYAHGKT-UHFFFAOYSA-N
• XLogP: 26.30
• TPSA: 96.99 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1625.46
LogP ≤ 5	26.30
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 bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?

The IUPAC name of bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium (CID 159909496) is bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium.

What is the SMILES notation for bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?

The canonical SMILES for bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium is C.C.C.C.Cc1cc(C)c(C)c(-c2c3nc(-c4c(C(C)C)cccc4C(C)C)oc3cc[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3sc(C(C)C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3sc(C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3sc(C)nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2ccc3scnc3[n+]2C)c1.

What is the InChIKey of bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?

The InChIKey is GADMVELAYAHGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N2O.C19H23N2S.2C17H19N2S.C16H17N2S.4CH4/c1-16(2)21-10-9-11-22(17(3)4)25(21)28-29-26-24(31-28)12-13-30(8)27(26)23-15-18(5)14-19(6)20(23)7;1-11(2)19-20-18-17(22-19)8-7-16(21(18)6)15-10-12(3)9-13(4)14(15)5;2*1-10-8-11(2)12(3)14(9-10)15-6-7-16-17(19(15)5)18-13(4)20-16;1-10-7-11(2)12(3)13(8-10)14-5-6-15-16(18(14)4)17-9-19-15;;;;/h9-17H,1-8H3;7-11H,1-6H3;2*6-9H,1-5H3;5-9H,1-4H3;4*1H4/q5*+1;;;;.

What are the key properties of bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium?

bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium has a molecular weight of 1625.46 g/mol, XLogP of 26.30, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium);2-[2,6-di(propan-2-yl)phenyl]-5-methyl-4-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium;methane;4-methyl-2-propan-2-yl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium;4-methyl-5-(2,3,5-trimethylphenyl)-[1,3]thiazolo[4,5-b]pyridin-4-ium is sourced from PubChem (CID 159909496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).