4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)

C45H37ClN10O4S6 — CID 163639234

About 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)

4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide) (PubChem CID 163639234) has the molecular formula C45H37ClN10O4S6 and a molecular weight of 1009.71 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide).

Molecular Properties

• Compound Name: 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)
• PubChem CID: 163639234
• Molecular Formula: C45H37ClN10O4S6
• Molecular Weight: 1009.71 g/mol
• Exact Mass: 1008.10
• IUPAC Name: 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)
• SMILES: CSc1ncc(C)c(-c2cn(-c3ccccc3)c3nc(-c4nccs4)ccc23)n1.CSc1ncc(C)c(Cl)n1.Cc1cn(-c2ccccc2)c2nc(-c3nccs3)ccc12.O=S=O.O=S=O
• InChI: InChI=1S/C22H17N5S2.C17H13N3S.C6H7ClN2S.2O2S/c1-14-12-24-22(28-2)26-19(14)17-13-27(15-6-4-3-5-7-15)20-16(17)8-9-18(25-20)21-23-10-11-29-21;1-12-11-20(13-5-3-2-4-6-13)16-14(12)7-8-15(19-16)17-18-9-10-21-17;1-4-3-8-6(10-2)9-5(4)7;2*1-3-2/h3-13H,1-2H3;2-11H,1H3;3H,1-2H3
• InChIKey: ICTMJCQGBCMVOB-UHFFFAOYSA-N
• XLogP: 10.91
• TPSA: 181.26 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1009.71
LogP ≤ 5	10.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)?

The IUPAC name of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide) (CID 163639234) is 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide).

What is the SMILES notation for 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)?

The canonical SMILES for 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide) is CSc1ncc(C)c(-c2cn(-c3ccccc3)c3nc(-c4nccs4)ccc23)n1.CSc1ncc(C)c(Cl)n1.Cc1cn(-c2ccccc2)c2nc(-c3nccs3)ccc12.O=S=O.O=S=O.

What is the InChIKey of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)?

The InChIKey is ICTMJCQGBCMVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5S2.C17H13N3S.C6H7ClN2S.2O2S/c1-14-12-24-22(28-2)26-19(14)17-13-27(15-6-4-3-5-7-15)20-16(17)8-9-18(25-20)21-23-10-11-29-21;1-12-11-20(13-5-3-2-4-6-13)16-14(12)7-8-15(19-16)17-18-9-10-21-17;1-4-3-8-6(10-2)9-5(4)7;2*1-3-2/h3-13H,1-2H3;2-11H,1H3;3H,1-2H3;;.

What are the key properties of 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide)?

4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide) has a molecular weight of 1009.71 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-methyl-2-methylsulfanylpyrimidine;2-[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-1-phenylpyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-(3-methyl-1-phenylpyrrolo[2,3-b]pyridin-6-yl)-1,3-thiazole;bis(sulfur dioxide) is sourced from PubChem (CID 163639234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).