5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid

C10H14N2O2S — CID 22711526

IUPAC5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
SMILESCC(C)N1CCc2sc(C(=O)O)nc2C1
InChIInChI=1S/C10H14N2O2S/c1-6(2)12-4-3-8-7(5-12)11-9(15-8)10(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyGAEZLCNFPZKHNA-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.61
Rot. Bonds2

About 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid

5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid (PubChem CID 22711526) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
PubChem CID22711526
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
SMILESCC(C)N1CCc2sc(C(=O)O)nc2C1
InChIInChI=1S/C10H14N2O2S/c1-6(2)12-4-3-8-7(5-12)11-9(15-8)10(13)14/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyGAEZLCNFPZKHNA-UHFFFAOYSA-N
XLogP1.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid (CID 22711526) is 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid is CC(C)N1CCc2sc(C(=O)O)nc2C1.
What is the InChIKey of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The InChIKey is GAEZLCNFPZKHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6(2)12-4-3-8-7(5-12)11-9(15-8)10(13)14/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 22711526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).