7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine

C₁₆H₁₀BrN₃S₂ — CID 123513218

About 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine

7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine (PubChem CID 123513218) has the molecular formula C₁₆H₁₀BrN₃S₂ and a molecular weight of 388.32 g/mol. Its IUPAC name is 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine.

Molecular Properties

• Compound Name: 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
• PubChem CID: 123513218
• Molecular Formula: C₁₆H₁₀BrN₃S₂
• Molecular Weight: 388.32 g/mol
• Exact Mass: 386.95
• IUPAC Name: 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine
• SMILES: Cc1nc(-c2cccnc2)sc1-c1ncc(Br)c2sccc12
• InChI: InChI=1S/C16H10BrN3S2/c1-9-14(22-16(20-9)10-3-2-5-18-7-10)13-11-4-6-21-15(11)12(17)8-19-13/h2-8H,1H3
• InChIKey: SJYHEWQCKUOPQA-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 38.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	388.32
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?

The IUPAC name of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine (CID 123513218) is 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine.

What is the SMILES notation for 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?

The canonical SMILES for 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine is Cc1nc(-c2cccnc2)sc1-c1ncc(Br)c2sccc12.

What is the InChIKey of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?

The InChIKey is SJYHEWQCKUOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3S2/c1-9-14(22-16(20-9)10-3-2-5-18-7-10)13-11-4-6-21-15(11)12(17)8-19-13/h2-8H,1H3.

What are the key properties of 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine?

7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine has a molecular weight of 388.32 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)thieno[3,2-c]pyridine is sourced from PubChem (CID 123513218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123513218 — identifiers, structure, computed properties (public domain)

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