5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine

C13H12N2S — CID 18785840

IUPAC5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESNC1=NC(c2ccccc2)Cc2ccsc21
InChIInChI=1S/C13H12N2S/c14-13-12-10(6-7-16-12)8-11(15-13)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,14,15)
InChIKeyOJTGYEZYCLLMBZ-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.75
Rot. Bonds1

About 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine

5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine (PubChem CID 18785840) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine
PubChem CID18785840
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine
SMILESNC1=NC(c2ccccc2)Cc2ccsc21
InChIInChI=1S/C13H12N2S/c14-13-12-10(6-7-16-12)8-11(15-13)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,14,15)
InChIKeyOJTGYEZYCLLMBZ-UHFFFAOYSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The IUPAC name of 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine (CID 18785840) is 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine.
What is the SMILES notation for 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The canonical SMILES for 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine is NC1=NC(c2ccccc2)Cc2ccsc21.
What is the InChIKey of 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
The InChIKey is OJTGYEZYCLLMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c14-13-12-10(6-7-16-12)8-11(15-13)9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,14,15).
What are the key properties of 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine?
5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine has a molecular weight of 228.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4,5-dihydrothieno[2,3-c]pyridin-7-amine is sourced from PubChem (CID 18785840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).