N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide

C17H26N4S — CID 2868545

IUPACN'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide
SMILESCCN(C=Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)CC
InChIInChI=1S/C17H26N4S/c1-7-21(8-2)11-19-15-13(10-18)12-9-16(3,4)20-17(5,6)14(12)22-15/h11,20H,7-9H2,1-6H3
InChIKeyJLLIHDKQVAQYLA-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.78
Rot. Bonds4

About N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide

N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide (PubChem CID 2868545) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide
PubChem CID2868545
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC NameN'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide
SMILESCCN(C=Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)CC
InChIInChI=1S/C17H26N4S/c1-7-21(8-2)11-19-15-13(10-18)12-9-16(3,4)20-17(5,6)14(12)22-15/h11,20H,7-9H2,1-6H3
InChIKeyJLLIHDKQVAQYLA-UHFFFAOYSA-N
XLogP3.78
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide?
The IUPAC name of N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide (CID 2868545) is N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide is CCN(C=Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C)CC.
What is the InChIKey of N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide?
The InChIKey is JLLIHDKQVAQYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-7-21(8-2)11-19-15-13(10-18)12-9-16(3,4)20-17(5,6)14(12)22-15/h11,20H,7-9H2,1-6H3.
What are the key properties of N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide?
N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide has a molecular weight of 318.49 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridin-2-yl)-N,N-diethylmethanimidamide is sourced from PubChem (CID 2868545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).