N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide

C14H11Cl2N3S — CID 177255799

IUPACN'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H11Cl2N3S/c1-19(2)8-18-14-11(6-17)12(7-20-14)10-4-3-9(15)5-13(10)16/h3-5,7-8H,1-2H3
InChIKeyZGDMJEKJOMSOMH-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.81
Rot. Bonds3

About N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide

N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide (PubChem CID 177255799) has the molecular formula C14H11Cl2N3S and a molecular weight of 324.24 g/mol. Its IUPAC name is N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide
PubChem CID177255799
Molecular FormulaC14H11Cl2N3S
Molecular Weight324.24 g/mol
Exact Mass323.01
IUPAC NameN'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N
InChIInChI=1S/C14H11Cl2N3S/c1-19(2)8-18-14-11(6-17)12(7-20-14)10-4-3-9(15)5-13(10)16/h3-5,7-8H,1-2H3
InChIKeyZGDMJEKJOMSOMH-UHFFFAOYSA-N
XLogP4.81
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide (CID 177255799) is N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide is CN(C)C=Nc1scc(-c2ccc(Cl)cc2Cl)c1C#N.
What is the InChIKey of N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ZGDMJEKJOMSOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3S/c1-19(2)8-18-14-11(6-17)12(7-20-14)10-4-3-9(15)5-13(10)16/h3-5,7-8H,1-2H3.
What are the key properties of N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide?
N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide has a molecular weight of 324.24 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 177255799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).