4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

C12H15N2O4S- — CID 86592092

IUPAC4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1NCCc2nc(C(=O)[O-])sc21
InChIInChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)7-8-6(4-5-13-7)14-9(19-8)10(15)16/h7,13H,4-5H2,1-3H3,(H,15,16)/p-1
InChIKeyMKWPXTIVEBZMLO-UHFFFAOYSA-M
MW283.33 g/mol
LogP0.04
Rot. Bonds2

About 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate

4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (PubChem CID 86592092) has the molecular formula C12H15N2O4S- and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.

Molecular Properties

Compound Name4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
PubChem CID86592092
Molecular FormulaC12H15N2O4S-
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate
SMILESCC(C)(C)OC(=O)C1NCCc2nc(C(=O)[O-])sc21
InChIInChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)7-8-6(4-5-13-7)14-9(19-8)10(15)16/h7,13H,4-5H2,1-3H3,(H,15,16)/p-1
InChIKeyMKWPXTIVEBZMLO-UHFFFAOYSA-M
XLogP0.04
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The IUPAC name of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate (CID 86592092) is 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate.
What is the SMILES notation for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The canonical SMILES for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is CC(C)(C)OC(=O)C1NCCc2nc(C(=O)[O-])sc21.
What is the InChIKey of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
The InChIKey is MKWPXTIVEBZMLO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N2O4S/c1-12(2,3)18-11(17)7-8-6(4-5-13-7)14-9(19-8)10(15)16/h7,13H,4-5H2,1-3H3,(H,15,16)/p-1.
What are the key properties of 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate?
4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate has a molecular weight of 283.33 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpropan-2-yl)oxycarbonyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylate is sourced from PubChem (CID 86592092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).