[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate

C17H20N4O2S — CID 164860531

IUPAC[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate
SMILESCc1nnc(C2(COC(=O)NCc3ccccc3)C3CNCC32)s1
InChIInChI=1S/C17H20N4O2S/c1-11-20-21-15(24-11)17(13-8-18-9-14(13)17)10-23-16(22)19-7-12-5-3-2-4-6-12/h2-6,13-14,18H,7-10H2,1H3,(H,19,22)
InChIKeyITTXCOZDMCNFIU-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.86
Rot. Bonds5

About [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate

[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate (PubChem CID 164860531) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate.

Molecular Properties

Compound Name[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate
PubChem CID164860531
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate
SMILESCc1nnc(C2(COC(=O)NCc3ccccc3)C3CNCC32)s1
InChIInChI=1S/C17H20N4O2S/c1-11-20-21-15(24-11)17(13-8-18-9-14(13)17)10-23-16(22)19-7-12-5-3-2-4-6-12/h2-6,13-14,18H,7-10H2,1H3,(H,19,22)
InChIKeyITTXCOZDMCNFIU-UHFFFAOYSA-N
XLogP1.86
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate with MolForge

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Related Compounds

(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
CID 164860673
[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
CID 164861061
benzene;ethyl N-benzylcarbamate
CID 67715166
[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl N-benzylcarbamate
CID 91035324
benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
CID 164850769
(1-aminocyclopentyl)methyl N-benzylcarbamate
CID 107654689
benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 171410240
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410036
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 170430375

Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate?
The IUPAC name of [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate (CID 164860531) is [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate.
What is the SMILES notation for [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate?
The canonical SMILES for [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate is Cc1nnc(C2(COC(=O)NCc3ccccc3)C3CNCC32)s1.
What is the InChIKey of [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate?
The InChIKey is ITTXCOZDMCNFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-20-21-15(24-11)17(13-8-18-9-14(13)17)10-23-16(22)19-7-12-5-3-2-4-6-12/h2-6,13-14,18H,7-10H2,1H3,(H,19,22).
What are the key properties of [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate?
[6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate has a molecular weight of 344.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate is sourced from PubChem (CID 164860531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).