5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid

C12H16N2O4S — CID 71303883

IUPAC5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2sc(C(=O)O)nc2C1
InChIInChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)13-9(19-8)10(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyKJGIYQHOOUSNTN-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.13
Rot. Bonds1

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

5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid (PubChem CID 71303883) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
PubChem CID71303883
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCc2sc(C(=O)O)nc2C1
InChIInChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)13-9(19-8)10(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyKJGIYQHOOUSNTN-UHFFFAOYSA-N
XLogP2.13
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid (CID 71303883) is 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)N1CCc2sc(C(=O)O)nc2C1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The InChIKey is KJGIYQHOOUSNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)14-5-4-8-7(6-14)13-9(19-8)10(15)16/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 71303883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).