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

C11H16N2O2S — CID 142484543

IUPACtert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ncsc21
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-6-4-5-8-9(13)16-7-12-8/h7H,4-6H2,1-3H3
InChIKeyLDXFKWZPCXJOGN-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.83
Rot. Bonds

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

tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 142484543) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate
PubChem CID142484543
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nametert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCc2ncsc21
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-6-4-5-8-9(13)16-7-12-8/h7H,4-6H2,1-3H3
InChIKeyLDXFKWZPCXJOGN-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]propanedioic acid
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tert-butyl 2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 59566496
tert-butyl 6-trimethylsilyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 10015249
tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
tert-butyl 7-methoxy-3,4-dihydro-2H-quinoline-1-carboxylate
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tert-butyl 6-trimethylsilyloxy-3,4-dihydro-2H-pyridine-1-carboxylate
CID 69254395
tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
CID 20622497
tert-butyl 5-(4-methyl-1,3-thiazol-5-yl)-2,5-diazabicyclo[4.1.0]heptane-2-carboxylate
CID 171506199
tert-butyl 12-bromo-11-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate (CID 142484543) is tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate is CC(C)(C)OC(=O)N1CCCc2ncsc21.
What is the InChIKey of tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is LDXFKWZPCXJOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-6-4-5-8-9(13)16-7-12-8/h7H,4-6H2,1-3H3.
What are the key properties of tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate?
tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,7-dihydro-5H-[1,3]thiazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 142484543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).