6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine

C19H17N3O2S2 — CID 123216017

IUPAC6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
SMILESCC(C)S(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N3O2S2/c1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17/h3-11H,20H2,1-2H3
InChIKeyPNLGKYNOSSQRKU-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.72
Rot. Bonds4

About 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine

6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine (PubChem CID 123216017) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
PubChem CID123216017
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
SMILESCC(C)S(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H17N3O2S2/c1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17/h3-11H,20H2,1-2H3
InChIKeyPNLGKYNOSSQRKU-UHFFFAOYSA-N
XLogP4.72
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine (CID 123216017) is 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N.
What is the InChIKey of 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
The InChIKey is PNLGKYNOSSQRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17/h3-11H,20H2,1-2H3.
What are the key properties of 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?
6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine has a molecular weight of 383.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 123216017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).