tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

C18H24N4O3S — CID 57489326

IUPACtert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O3S/c1-10-14(21-5-6-26-16(21)20-10)15(23)19-8-13-12-7-11(12)9-22(13)17(24)25-18(2,3)4/h5-6,11-13H,7-9H2,1-4H3,(H,19,23)/t11-,12-,13-/m1/s1
InChIKeyAGTQXEZEHSOYOI-JHJVBQTASA-N
MW376.48 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (PubChem CID 57489326) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
PubChem CID57489326
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Nametert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C
InChIInChI=1S/C18H24N4O3S/c1-10-14(21-5-6-26-16(21)20-10)15(23)19-8-13-12-7-11(12)9-22(13)17(24)25-18(2,3)4/h5-6,11-13H,7-9H2,1-4H3,(H,19,23)/t11-,12-,13-/m1/s1
InChIKeyAGTQXEZEHSOYOI-JHJVBQTASA-N
XLogP2.69
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The IUPAC name of tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate (CID 57489326) is tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate.
What is the SMILES notation for tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The canonical SMILES for tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is Cc1nc2sccn2c1C(=O)NC[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
The InChIKey is AGTQXEZEHSOYOI-JHJVBQTASA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-10-14(21-5-6-26-16(21)20-10)15(23)19-8-13-12-7-11(12)9-22(13)17(24)25-18(2,3)4/h5-6,11-13H,7-9H2,1-4H3,(H,19,23)/t11-,12-,13-/m1/s1.
What are the key properties of tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate?
tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate has a molecular weight of 376.48 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,2S,5S)-2-[[(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)amino]methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate is sourced from PubChem (CID 57489326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).