N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide

C17H12N4S2 — CID 26987875

IUPACN'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1sc2cc(-c3ccc(C#N)cc3)sc2c1C#N
InChIInChI=1S/C17H12N4S2/c1-21(2)10-20-17-13(9-19)16-15(23-17)7-14(22-16)12-5-3-11(8-18)4-6-12/h3-7,10H,1-2H3
InChIKeyKDUCVDPBGIOQGV-UHFFFAOYSA-N
MW336.45 g/mol
LogP4.59
Rot. Bonds3

About N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide

N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 26987875) has the molecular formula C17H12N4S2 and a molecular weight of 336.45 g/mol. Its IUPAC name is N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide
PubChem CID26987875
Molecular FormulaC17H12N4S2
Molecular Weight336.45 g/mol
Exact Mass336.05
IUPAC NameN'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1sc2cc(-c3ccc(C#N)cc3)sc2c1C#N
InChIInChI=1S/C17H12N4S2/c1-21(2)10-20-17-13(9-19)16-15(23-17)7-14(22-16)12-5-3-11(8-18)4-6-12/h3-7,10H,1-2H3
InChIKeyKDUCVDPBGIOQGV-UHFFFAOYSA-N
XLogP4.59
TPSA63.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide (CID 26987875) is N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1sc2cc(-c3ccc(C#N)cc3)sc2c1C#N.
What is the InChIKey of N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is KDUCVDPBGIOQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S2/c1-21(2)10-20-17-13(9-19)16-15(23-17)7-14(22-16)12-5-3-11(8-18)4-6-12/h3-7,10H,1-2H3.
What are the key properties of N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide?
N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 336.45 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-cyano-2-(4-cyanophenyl)thieno[3,2-b]thiophen-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 26987875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).