2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid

C11H16N2O2S — CID 28942146

IUPAC2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid
SMILESCC(C)N1CCc2nc(CC(=O)O)sc2C1
InChIInChI=1S/C11H16N2O2S/c1-7(2)13-4-3-8-9(6-13)16-10(12-8)5-11(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyRWGGSNNJJUSPEN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.54
Rot. Bonds3

About 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid

2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid (PubChem CID 28942146) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid
PubChem CID28942146
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid
SMILESCC(C)N1CCc2nc(CC(=O)O)sc2C1
InChIInChI=1S/C11H16N2O2S/c1-7(2)13-4-3-8-9(6-13)16-10(12-8)5-11(14)15/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyRWGGSNNJJUSPEN-UHFFFAOYSA-N
XLogP1.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid (CID 28942146) is 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid is CC(C)N1CCc2nc(CC(=O)O)sc2C1.
What is the InChIKey of 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
The InChIKey is RWGGSNNJJUSPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7(2)13-4-3-8-9(6-13)16-10(12-8)5-11(14)15/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid?
2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid has a molecular weight of 240.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetic acid is sourced from PubChem (CID 28942146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).