2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine

C11H14N2OS — CID 143883411

IUPAC2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine
SMILESCCC(C)c1nc2ccc(OC)nc2s1
InChIInChI=1S/C11H14N2OS/c1-4-7(2)10-12-8-5-6-9(14-3)13-11(8)15-10/h5-7H,4H2,1-3H3
InChIKeyWHTUHEVMWNSLSK-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.21
Rot. Bonds3

About 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine

2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 143883411) has the molecular formula C11H14N2OS and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine
PubChem CID143883411
Molecular FormulaC11H14N2OS
Molecular Weight222.31 g/mol
Exact Mass222.08
IUPAC Name2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine
SMILESCCC(C)c1nc2ccc(OC)nc2s1
InChIInChI=1S/C11H14N2OS/c1-4-7(2)10-12-8-5-6-9(14-3)13-11(8)15-10/h5-7H,4H2,1-3H3
InChIKeyWHTUHEVMWNSLSK-UHFFFAOYSA-N
XLogP3.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine (CID 143883411) is 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine is CCC(C)c1nc2ccc(OC)nc2s1.
What is the InChIKey of 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is WHTUHEVMWNSLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS/c1-4-7(2)10-12-8-5-6-9(14-3)13-11(8)15-10/h5-7H,4H2,1-3H3.
What are the key properties of 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine?
2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 222.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-methoxy-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 143883411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).