(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile

C13H10N4S2 — CID 2820725

IUPAC(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile
SMILESCc1csc2sc(/C=N/C(C#N)=C(\N)C#N)c(C)c12
InChIInChI=1S/C13H10N4S2/c1-7-6-18-13-12(7)8(2)11(19-13)5-17-10(4-15)9(16)3-14/h5-6H,16H2,1-2H3/b10-9-,17-5+
InChIKeyGXEZRGOLBHWVJQ-SYSGVOERSA-N
MW286.39 g/mol
LogP3.22
Rot. Bonds2

About (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile

(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile (PubChem CID 2820725) has the molecular formula C13H10N4S2 and a molecular weight of 286.39 g/mol. Its IUPAC name is (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile
PubChem CID2820725
Molecular FormulaC13H10N4S2
Molecular Weight286.39 g/mol
Exact Mass286.03
IUPAC Name(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile
SMILESCc1csc2sc(/C=N/C(C#N)=C(\N)C#N)c(C)c12
InChIInChI=1S/C13H10N4S2/c1-7-6-18-13-12(7)8(2)11(19-13)5-17-10(4-15)9(16)3-14/h5-6H,16H2,1-2H3/b10-9-,17-5+
InChIKeyGXEZRGOLBHWVJQ-SYSGVOERSA-N
XLogP3.22
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile with MolForge

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Related Compounds

3-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)prop-2-enoic acid
CID 2778913
(Z)-2-amino-3-[2-[(Z)-2-amino-1,2-dicyanoethenyl]iminoethylideneamino]but-2-enedinitrile
CID 5466521
N'-[(E)-2-amino-1,2-dicyanoethenyl]methanimidamide
CID 3005068
(Z)-2-amino-3-[[4-(2-methylpropyl)phenyl]methylideneamino]but-2-enedinitrile
CID 2737671
(Z)-2-amino-3-[(3-methoxyphenyl)methylideneamino]but-2-enedinitrile
CID 70420350
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
CID 3736377
1-(3,4-dimethylthieno[2,3-b]thiophen-5-yl)-2,2-dimethylpropan-1-one
CID 169026571
(Z)-2-amino-3-[[2-chloro-4-(trifluoromethoxy)phenyl]methylideneamino]but-2-enedinitrile
CID 14210516
ethyl 2-[[3-[[(Z)-2-amino-1,2-dicyanoethenyl]iminomethyl]-2-oxochromen-7-yl]-(2-ethoxy-2-oxoethyl)amino]acetate
CID 102028559
3,4-dimethyl-5-(4-nitrophenyl)thieno[2,3-b]thiophene
CID 135037493
N'-(2-amino-1,2-dicyanoethenyl)-N-(2,5-dimethoxyphenyl)methanimidamide
CID 3450699
(Z)-2-amino-3-[1-(4-chloro-3-methylphenyl)ethylideneamino]but-2-enedinitrile
CID 142928585

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile?
The IUPAC name of (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile (CID 2820725) is (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile.
What is the SMILES notation for (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile?
The canonical SMILES for (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile is Cc1csc2sc(/C=N/C(C#N)=C(\N)C#N)c(C)c12.
What is the InChIKey of (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile?
The InChIKey is GXEZRGOLBHWVJQ-SYSGVOERSA-N. The full InChI is InChI=1S/C13H10N4S2/c1-7-6-18-13-12(7)8(2)11(19-13)5-17-10(4-15)9(16)3-14/h5-6H,16H2,1-2H3/b10-9-,17-5+.
What are the key properties of (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile?
(Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile has a molecular weight of 286.39 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[(3,4-dimethylthieno[2,3-b]thiophen-5-yl)methylideneamino]but-2-enedinitrile is sourced from PubChem (CID 2820725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).