5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine

C13H16N2S — CID 18785778

IUPAC5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESCC(C)(C)C#CC1Cc2ccsc2C(N)=N1
InChIInChI=1S/C13H16N2S/c1-13(2,3)6-4-10-8-9-5-7-16-11(9)12(14)15-10/h5,7,10H,8H2,1-3H3,(H2,14,15)
InChIKeyPIQOUNDYMDWDNR-UHFFFAOYSA-N
MW232.35 g/mol
LogP2.43
Rot. Bonds

About 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine

5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine (PubChem CID 18785778) has the molecular formula C13H16N2S and a molecular weight of 232.35 g/mol. Its IUPAC name is 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
PubChem CID18785778
Molecular FormulaC13H16N2S
Molecular Weight232.35 g/mol
Exact Mass232.10
IUPAC Name5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESCC(C)(C)C#CC1Cc2ccsc2C(N)=N1
InChIInChI=1S/C13H16N2S/c1-13(2,3)6-4-10-8-9-5-7-16-11(9)12(14)15-10/h5,7,10H,8H2,1-3H3,(H2,14,15)
InChIKeyPIQOUNDYMDWDNR-UHFFFAOYSA-N
XLogP2.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine with MolForge

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Related Compounds

5-Cyclopropyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 9990159
4,5-Dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785787
5-Ethynyl-2-methyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785802
6-Cyclopropyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785805
5-Thiophen-2-yl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785824
5-Phenyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785840
5-Ethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785878
6,7-Dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785892
5-Prop-1-ynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785910
6-Ethynyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785933
6-Phenyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785938
5-Phenylethynyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785810

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The IUPAC name of 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine (CID 18785778) is 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine.
What is the SMILES notation for 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The canonical SMILES for 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine is CC(C)(C)C#CC1Cc2ccsc2C(N)=N1.
What is the InChIKey of 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The InChIKey is PIQOUNDYMDWDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S/c1-13(2,3)6-4-10-8-9-5-7-16-11(9)12(14)15-10/h5,7,10H,8H2,1-3H3,(H2,14,15).
What are the key properties of 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine has a molecular weight of 232.35 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbut-1-ynyl)-4,5-dihydrothieno[2,3-c]pyridin-7-amine is sourced from PubChem (CID 18785778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).