N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

C33H22FN5O2S2 — CID 122186957

About N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 122186957) has the molecular formula C33H22FN5O2S2 and a molecular weight of 603.70 g/mol. Its IUPAC name is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122186957
• Molecular Formula: C33H22FN5O2S2
• Molecular Weight: 603.70 g/mol
• Exact Mass: 603.12
• IUPAC Name: N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide
• SMILES: Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5sc(-c6ccccc6)nc5-c5ccccc5)cc4F)c3s2)c1
• InChI: InChI=1S/C33H22FN5O2S2/c1-39-18-25(36-19-39)28-17-24-30(42-28)27(14-15-35-24)41-26-13-12-22(16-23(26)34)37-32(40)31-29(20-8-4-2-5-9-20)38-33(43-31)21-10-6-3-7-11-21/h2-19H,1H3,(H,37,40)
• InChIKey: OXWIOZKINSUAPC-UHFFFAOYSA-N
• XLogP: 8.67
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.70
LogP ≤ 5	8.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide (CID 122186957) is N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)c5sc(-c6ccccc6)nc5-c5ccccc5)cc4F)c3s2)c1.

What is the InChIKey of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

The InChIKey is OXWIOZKINSUAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22FN5O2S2/c1-39-18-25(36-19-39)28-17-24-30(42-28)27(14-15-35-24)41-26-13-12-22(16-23(26)34)37-32(40)31-29(20-8-4-2-5-9-20)38-33(43-31)21-10-6-3-7-11-21/h2-19H,1H3,(H,37,40).

What are the key properties of N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide?

N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 603.70 g/mol, XLogP of 8.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122186957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).