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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[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
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4nc5sc(-c6ccc(-c7ccc(-c8ccc(C#N)cc8)s7)s6)nc5s4)s3)s2)cc1
InChIInChI=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
InChIKeyPXFHDDLPLZKEHR-UHFFFAOYSA-N
MW672.93 g/mol
LogP11.74
Rot. Bonds6

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 Name4-[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 CID170275781
Molecular FormulaC34H16N4S6
Molecular Weight672.93 g/mol
Exact Mass671.97
IUPAC Name4-[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
SMILESN#Cc1ccc(-c2ccc(-c3ccc(-c4nc5sc(-c6ccc(-c7ccc(-c8ccc(C#N)cc8)s7)s6)nc5s4)s3)s2)cc1
InChIInChI=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
InChIKeyPXFHDDLPLZKEHR-UHFFFAOYSA-N
XLogP11.74
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.93
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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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).

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