7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine

C10H10N2S — CID 176758444

IUPAC7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine
SMILES[C-]#[N+]c1c(C)nc(C)c2c1CSC2
InChIInChI=1S/C10H10N2S/c1-6-8-4-13-5-9(8)10(11-3)7(2)12-6/h4-5H2,1-2H3
InChIKeySYAKJLYVGBNRHM-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.00
Rot. Bonds

About 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine

7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine (PubChem CID 176758444) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine.

Molecular Properties

Compound Name7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine
PubChem CID176758444
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine
SMILES[C-]#[N+]c1c(C)nc(C)c2c1CSC2
InChIInChI=1S/C10H10N2S/c1-6-8-4-13-5-9(8)10(11-3)7(2)12-6/h4-5H2,1-2H3
InChIKeySYAKJLYVGBNRHM-UHFFFAOYSA-N
XLogP3.00
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine?
The IUPAC name of 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine (CID 176758444) is 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine.
What is the SMILES notation for 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine?
The canonical SMILES for 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine is [C-]#[N+]c1c(C)nc(C)c2c1CSC2.
What is the InChIKey of 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine?
The InChIKey is SYAKJLYVGBNRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-6-8-4-13-5-9(8)10(11-3)7(2)12-6/h4-5H2,1-2H3.
What are the key properties of 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine?
7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine has a molecular weight of 190.27 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isocyano-4,6-dimethyl-1,3-dihydrothieno[3,4-c]pyridine is sourced from PubChem (CID 176758444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).