2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine

C15H17N3O2S2 — CID 118059075

IUPAC2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3ncco3)cc(C)c2c1N
InChIInChI=1S/C15H17N3O2S2/c1-3-4-7-22(19)15-12(16)11-9(2)8-10(18-14(11)21-15)13-17-5-6-20-13/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyOJDWIPJPIVIROE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.75
Rot. Bonds5

About 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 118059075) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID118059075
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC Name2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3ncco3)cc(C)c2c1N
InChIInChI=1S/C15H17N3O2S2/c1-3-4-7-22(19)15-12(16)11-9(2)8-10(18-14(11)21-15)13-17-5-6-20-13/h5-6,8H,3-4,7,16H2,1-2H3
InChIKeyOJDWIPJPIVIROE-UHFFFAOYSA-N
XLogP3.75
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 118059075) is 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3ncco3)cc(C)c2c1N.
What is the InChIKey of 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is OJDWIPJPIVIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-3-4-7-22(19)15-12(16)11-9(2)8-10(18-14(11)21-15)13-17-5-6-20-13/h5-6,8H,3-4,7,16H2,1-2H3.
What are the key properties of 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine?
2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 335.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-4-methyl-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 118059075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).