3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C31H24N4O3S2 — CID 23743028

About 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23743028) has the molecular formula C31H24N4O3S2 and a molecular weight of 564.69 g/mol. Its IUPAC name is 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 23743028
• Molecular Formula: C31H24N4O3S2
• Molecular Weight: 564.69 g/mol
• Exact Mass: 564.13
• IUPAC Name: 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nc(-c5cccc(OC)c5)cs4)c(N)c23)cc1
• InChI: InChI=1S/C31H24N4O3S2/c1-37-21-13-11-18(12-14-21)23-16-24(19-7-4-3-5-8-19)33-30-26(23)27(32)28(40-30)29(36)35-31-34-25(17-39-31)20-9-6-10-22(15-20)38-2/h3-17H,32H2,1-2H3,(H,34,35,36)
• InChIKey: BULGOVRFZFIGPS-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 99.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.69
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23743028) is 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide is COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4nc(-c5cccc(OC)c5)cs4)c(N)c23)cc1.

What is the InChIKey of 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is BULGOVRFZFIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N4O3S2/c1-37-21-13-11-18(12-14-21)23-16-24(19-7-4-3-5-8-19)33-30-26(23)27(32)28(40-30)29(36)35-31-34-25(17-39-31)20-9-6-10-22(15-20)38-2/h3-17H,32H2,1-2H3,(H,34,35,36).

What are the key properties of 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 564.69 g/mol, XLogP of 7.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-4-(4-methoxyphenyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23743028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).