2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C18H14N2OS3 — CID 3337838

IUPAC2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C18H14N2OS3/c1-24(21)18-16(19)15-12(11-6-3-2-4-7-11)10-13(20-17(15)23-18)14-8-5-9-22-14/h2-10H,19H2,1H3
InChIKeyBCCLLEGQIPOMJZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP5.01
Rot. Bonds3

About 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 3337838) has the molecular formula C18H14N2OS3 and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
PubChem CID3337838
Molecular FormulaC18H14N2OS3
Molecular Weight370.52 g/mol
Exact Mass370.03
IUPAC Name2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
SMILESCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C18H14N2OS3/c1-24(21)18-16(19)15-12(11-6-3-2-4-7-11)10-13(20-17(15)23-18)14-8-5-9-22-14/h2-10H,19H2,1H3
InChIKeyBCCLLEGQIPOMJZ-UHFFFAOYSA-N
XLogP5.01
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 3337838) is 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is CS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
The InChIKey is BCCLLEGQIPOMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2OS3/c1-24(21)18-16(19)15-12(11-6-3-2-4-7-11)10-13(20-17(15)23-18)14-8-5-9-22-14/h2-10H,19H2,1H3.
What are the key properties of 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?
2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 370.52 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 3337838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).