4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile

C34H16N4S6 — CID 170275781

About 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile

4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile (PubChem CID 170275781) has the molecular formula C34H16N4S6 and a molecular weight of 672.93 g/mol. Its IUPAC name is 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile
• PubChem CID: 170275781
• Molecular Formula: C34H16N4S6
• Molecular Weight: 672.93 g/mol
• Exact Mass: 671.97
• IUPAC Name: 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3ccc(-c4nc5sc(-c6ccc(-c7ccc(-c8ccc(C#N)cc8)s7)s6)nc5s4)s3)s2)cc1
• InChI: InChI=1S/C34H16N4S6/c35-17-19-1-5-21(6-2-19)23-9-11-25(39-23)27-13-15-29(41-27)31-37-33-34(43-31)38-32(44-33)30-16-14-28(42-30)26-12-10-24(40-26)22-7-3-20(18-36)4-8-22/h1-16H
• InChIKey: PXFHDDLPLZKEHR-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 73.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.93
LogP ≤ 5	11.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile?

The IUPAC name of 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile (CID 170275781) is 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile.

What is the SMILES notation for 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile?

The canonical SMILES for 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile is N#Cc1ccc(-c2ccc(-c3ccc(-c4nc5sc(-c6ccc(-c7ccc(-c8ccc(C#N)cc8)s7)s6)nc5s4)s3)s2)cc1.

What is the InChIKey of 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile?

The InChIKey is PXFHDDLPLZKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H16N4S6/c35-17-19-1-5-21(6-2-19)23-9-11-25(39-23)27-13-15-29(41-27)31-37-33-34(43-31)38-32(44-33)30-16-14-28(42-30)26-12-10-24(40-26)22-7-3-20(18-36)4-8-22/h1-16H.

What are the key properties of 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile?

4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile has a molecular weight of 672.93 g/mol, XLogP of 11.74, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[5-[5-[5-[5-(4-cyanophenyl)thiophen-2-yl]thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]thiophen-2-yl]thiophen-2-yl]benzonitrile is sourced from PubChem (CID 170275781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).