tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate

C15H23N3O2S — CID 15065276

IUPACtert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]2c3nc(N)sc3CC[C@H]21
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-8-4-5-9-10(18)6-7-11-12(9)17-13(16)21-11/h9-10H,4-8H2,1-3H3,(H2,16,17)/t9-,10-/m1/s1
InChIKeyAXOVIZHTGHECCT-NXEZZACHSA-N
MW309.44 g/mol
LogP3.15
Rot. Bonds

About tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate

tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate (PubChem CID 15065276) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate
PubChem CID15065276
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Nametert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@H]2c3nc(N)sc3CC[C@H]21
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-8-4-5-9-10(18)6-7-11-12(9)17-13(16)21-11/h9-10H,4-8H2,1-3H3,(H2,16,17)/t9-,10-/m1/s1
InChIKeyAXOVIZHTGHECCT-NXEZZACHSA-N
XLogP3.15
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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tert-butyl (5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b]azepine-1-carboxylate
CID 178143547
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate (CID 15065276) is tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate is CC(C)(C)OC(=O)N1CCC[C@H]2c3nc(N)sc3CC[C@H]21.
What is the InChIKey of tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate?
The InChIKey is AXOVIZHTGHECCT-NXEZZACHSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,3)20-14(19)18-8-4-5-9-10(18)6-7-11-12(9)17-13(16)21-11/h9-10H,4-8H2,1-3H3,(H2,16,17)/t9-,10-/m1/s1.
What are the key properties of tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate?
tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate has a molecular weight of 309.44 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5aR,9aR)-2-amino-5,5a,7,8,9,9a-hexahydro-4H-[1,3]thiazolo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 15065276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).