5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

C16H16N2S — CID 167089504

IUPAC5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)c1nc2ccc(Cc3ccccc3)nc2s1
InChIInChI=1S/C16H16N2S/c1-11(2)15-18-14-9-8-13(17-16(14)19-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyFSFYQBICTYNMQF-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.41
Rot. Bonds3

About 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine

5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 167089504) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
PubChem CID167089504
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
SMILESCC(C)c1nc2ccc(Cc3ccccc3)nc2s1
InChIInChI=1S/C16H16N2S/c1-11(2)15-18-14-9-8-13(17-16(14)19-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
InChIKeyFSFYQBICTYNMQF-UHFFFAOYSA-N
XLogP4.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The IUPAC name of 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 167089504) is 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine.
What is the SMILES notation for 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The canonical SMILES for 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is CC(C)c1nc2ccc(Cc3ccccc3)nc2s1.
What is the InChIKey of 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
The InChIKey is FSFYQBICTYNMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11(2)15-18-14-9-8-13(17-16(14)19-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine?
5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 268.38 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 167089504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).