tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

C15H19N3O3S — CID 58116888

IUPACtert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(sc(N)c2-c2ccno2)C1
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)20-14(19)18-7-5-9-11(8-18)22-13(16)12(9)10-4-6-17-21-10/h4,6H,5,7-8,16H2,1-3H3
InChIKeyZNIMWAYOWYJKQF-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.28
Rot. Bonds1

About tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate

tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (PubChem CID 58116888) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
PubChem CID58116888
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Nametert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(sc(N)c2-c2ccno2)C1
InChIInChI=1S/C15H19N3O3S/c1-15(2,3)20-14(19)18-7-5-9-11(8-18)22-13(16)12(9)10-4-6-17-21-10/h4,6H,5,7-8,16H2,1-3H3
InChIKeyZNIMWAYOWYJKQF-UHFFFAOYSA-N
XLogP3.28
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 2-acetamido-3-(6-methyl-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 2-amino-3-(6-methyl-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 159755619
6-O-tert-butyl 2-O-methyl 3-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxylate
CID 137429955
tert-butyl 2-amino-3-(5-methyl-1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;2-(5-methyl-1,3-benzothiazol-2-yl)acetonitrile
CID 157367078
tert-butyl 5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;ethane
CID 144594462
tert-butyl 2-amino-3-(4-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate;3-(4-methylphenyl)-3-oxopropanenitrile
CID 158947637
6-O-tert-butyl 2-O-methyl 3-fluoro-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxylate
CID 58157620
tert-butyl 3-amino-2-[(1-hydroxy-2,2-diphenylethyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 163844025
tert-butyl 2-amino-3-(4,5-dihydro-1,3-benzothiazol-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 71007510
2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 57384497
13-amino-11-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-12-carboxylic acid
CID 54332484
tert-butyl 3-cyano-2-(trifluoromethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 118462228
5-O-tert-butyl 3-O-methyl 2-amino-4,6-dihydrothieno[2,3-c]pyrrole-3,5-dicarboxylate
CID 122504383

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate (CID 58116888) is tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2c(sc(N)c2-c2ccno2)C1.
What is the InChIKey of tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
The InChIKey is ZNIMWAYOWYJKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-15(2,3)20-14(19)18-7-5-9-11(8-18)22-13(16)12(9)10-4-6-17-21-10/h4,6H,5,7-8,16H2,1-3H3.
What are the key properties of tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate?
tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-3-(1,2-oxazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 58116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).