tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C12H16N2O3S — CID 45489911

IUPACtert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(C=O)sc2C1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)17-11(16)14-5-4-8-9(6-14)18-10(7-15)13-8/h7H,4-6H2,1-3H3
InChIKeyLFDDAPVYLFAUEY-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.25
Rot. Bonds1

About tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 45489911) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID45489911
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Nametert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(C=O)sc2C1
InChIInChI=1S/C12H16N2O3S/c1-12(2,3)17-11(16)14-5-4-8-9(6-14)18-10(7-15)13-8/h7H,4-6H2,1-3H3
InChIKeyLFDDAPVYLFAUEY-UHFFFAOYSA-N
XLogP2.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 45489911) is tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2nc(C=O)sc2C1.
What is the InChIKey of tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is LFDDAPVYLFAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2,3)17-11(16)14-5-4-8-9(6-14)18-10(7-15)13-8/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 268.34 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-formyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 45489911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).