N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide

C10H13N3S — CID 45286064

IUPACN'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCc1sc(/N=C/N(C)C)c(C#N)c1C
InChIInChI=1S/C10H13N3S/c1-7-8(2)14-10(9(7)5-11)12-6-13(3)4/h6H,1-4H3/b12-6+
InChIKeyYVVFRWHFZXGSBV-WUXMJOGZSA-N
MW207.30 g/mol
LogP2.46
Rot. Bonds2

About N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide

N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 45286064) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide
PubChem CID45286064
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide
SMILESCc1sc(/N=C/N(C)C)c(C#N)c1C
InChIInChI=1S/C10H13N3S/c1-7-8(2)14-10(9(7)5-11)12-6-13(3)4/h6H,1-4H3/b12-6+
InChIKeyYVVFRWHFZXGSBV-WUXMJOGZSA-N
XLogP2.46
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.46
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'}

Analyze N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide (CID 45286064) is N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide is Cc1sc(/N=C/N(C)C)c(C#N)c1C.
What is the InChIKey of N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is YVVFRWHFZXGSBV-WUXMJOGZSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-8(2)14-10(9(7)5-11)12-6-13(3)4/h6H,1-4H3/b12-6+.
What are the key properties of N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide?
N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 207.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4,5-dimethylthiophen-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 45286064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).