6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine

C9H8N2S — CID 18785933

IUPAC6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine
SMILESC#CC1Cc2sccc2C(N)=N1
InChIInChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11)
InChIKeyNNUPDBFRVPMTCH-UHFFFAOYSA-N
MW176.24 g/mol
LogP1.01
Rot. Bonds

About 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine

6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine (PubChem CID 18785933) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine
PubChem CID18785933
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine
SMILESC#CC1Cc2sccc2C(N)=N1
InChIInChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11)
InChIKeyNNUPDBFRVPMTCH-UHFFFAOYSA-N
XLogP1.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine?
The IUPAC name of 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine (CID 18785933) is 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine is C#CC1Cc2sccc2C(N)=N1.
What is the InChIKey of 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine?
The InChIKey is NNUPDBFRVPMTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c1-2-6-5-8-7(3-4-12-8)9(10)11-6/h1,3-4,6H,5H2,(H2,10,11).
What are the key properties of 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine?
6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine has a molecular weight of 176.24 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-6,7-dihydrothieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 18785933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).