2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine

C14H14N2OS3 — CID 118059103

IUPAC2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1
InChIInChI=1S/C14H14N2OS3/c1-2-3-9-20(17)14-16-11-7-6-10(15-13(11)19-14)12-5-4-8-18-12/h4-8H,2-3,9H2,1H3
InChIKeyAYOHSFUWGAYFNR-UHFFFAOYSA-N
MW322.48 g/mol
LogP4.33
Rot. Bonds5

About 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine

2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 118059103) has the molecular formula C14H14N2OS3 and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID118059103
Molecular FormulaC14H14N2OS3
Molecular Weight322.48 g/mol
Exact Mass322.03
IUPAC Name2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1
InChIInChI=1S/C14H14N2OS3/c1-2-3-9-20(17)14-16-11-7-6-10(15-13(11)19-14)12-5-4-8-18-12/h4-8H,2-3,9H2,1H3
InChIKeyAYOHSFUWGAYFNR-UHFFFAOYSA-N
XLogP4.33
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 118059103) is 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine is CCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.
What is the InChIKey of 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is AYOHSFUWGAYFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS3/c1-2-3-9-20(17)14-16-11-7-6-10(15-13(11)19-14)12-5-4-8-18-12/h4-8H,2-3,9H2,1H3.
What are the key properties of 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?
2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 322.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 118059103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).