tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate

C16H25N3O3S — CID 142576553

IUPACtert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(NCC3CCCO3)sc2C1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(20)19-7-6-12-13(10-19)23-14(18-12)17-9-11-5-4-8-21-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyNFSKYWFHPCUDFS-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.03
Rot. Bonds3

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

tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (PubChem CID 142576553) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
PubChem CID142576553
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Nametert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nc(NCC3CCCO3)sc2C1
InChIInChI=1S/C16H25N3O3S/c1-16(2,3)22-15(20)19-7-6-12-13(10-19)23-14(18-12)17-9-11-5-4-8-21-11/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyNFSKYWFHPCUDFS-UHFFFAOYSA-N
XLogP3.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate (CID 142576553) is tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2nc(NCC3CCCO3)sc2C1.
What is the InChIKey of tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
The InChIKey is NFSKYWFHPCUDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-16(2,3)22-15(20)19-7-6-12-13(10-19)23-14(18-12)17-9-11-5-4-8-21-11/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate?
tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate has a molecular weight of 339.46 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(oxolan-2-ylmethylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate is sourced from PubChem (CID 142576553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).