tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C16H25N3O2S — CID 107238734

IUPACtert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1nc(C(C)NC2C3CN(C(=O)OC(C)(C)C)CC32)cs1
InChIInChI=1S/C16H25N3O2S/c1-9(13-8-22-10(2)18-13)17-14-11-6-19(7-12(11)14)15(20)21-16(3,4)5/h8-9,11-12,14,17H,6-7H2,1-5H3
InChIKeyLGVNDUOBVNVOQA-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 107238734) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID107238734
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Nametert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1nc(C(C)NC2C3CN(C(=O)OC(C)(C)C)CC32)cs1
InChIInChI=1S/C16H25N3O2S/c1-9(13-8-22-10(2)18-13)17-14-11-6-19(7-12(11)14)15(20)21-16(3,4)5/h8-9,11-12,14,17H,6-7H2,1-5H3
InChIKeyLGVNDUOBVNVOQA-UHFFFAOYSA-N
XLogP2.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 103822890
tert-butyl 6-[1-(5-bromofuran-2-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238728
tert-butyl 6-(1,1-difluoropropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238572
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl 3-[[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]amino]azetidine-1-carboxylate
CID 97103228
tert-butyl 6-(3-methylpentan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238670
tert-butyl N-[4-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]carbamate
CID 103936100
tert-butyl 3-[[(1S)-1-pyridin-4-ylethyl]amino]azetidine-1-carboxylate
CID 81405804
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl 6-(1-phenylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238428
tert-butyl 3-(5-methyl-3-propan-2-ylpyrazol-1-yl)azetidine-1-carboxylate;ethane
CID 144669766
tert-butyl 3-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103748044

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 107238734) is tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1nc(C(C)NC2C3CN(C(=O)OC(C)(C)C)CC32)cs1.
What is the InChIKey of tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is LGVNDUOBVNVOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-9(13-8-22-10(2)18-13)17-14-11-6-19(7-12(11)14)15(20)21-16(3,4)5/h8-9,11-12,14,17H,6-7H2,1-5H3.
What are the key properties of tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 323.46 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 107238734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).