[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride

C17H19ClFN3O2S — CID 164860673

IUPAC[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
SMILESCl.O=C(NCc1ccccc1)OCC1(c2ncc(F)s2)C2CNCC21
InChIInChI=1S/C17H18FN3O2S.ClH/c18-14-9-20-15(24-14)17(12-7-19-8-13(12)17)10-23-16(22)21-6-11-4-2-1-3-5-11;/h1-5,9,12-13,19H,6-8,10H2,(H,21,22);1H
InChIKeyXSFMQTLTNHQQDX-UHFFFAOYSA-N
MW383.88 g/mol
LogP2.72
Rot. Bonds5

About [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride

[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride (PubChem CID 164860673) has the molecular formula C17H19ClFN3O2S and a molecular weight of 383.88 g/mol. Its IUPAC name is [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride.

Molecular Properties

Compound Name[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
PubChem CID164860673
Molecular FormulaC17H19ClFN3O2S
Molecular Weight383.88 g/mol
Exact Mass383.09
IUPAC Name[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
SMILESCl.O=C(NCc1ccccc1)OCC1(c2ncc(F)s2)C2CNCC21
InChIInChI=1S/C17H18FN3O2S.ClH/c18-14-9-20-15(24-14)17(12-7-19-8-13(12)17)10-23-16(22)21-6-11-4-2-1-3-5-11;/h1-5,9,12-13,19H,6-8,10H2,(H,21,22);1H
InChIKeyXSFMQTLTNHQQDX-UHFFFAOYSA-N
XLogP2.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride 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-methyl-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate
CID 164860531
[6-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride
CID 164861061
[(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
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzene;ethyl N-benzylcarbamate
CID 67715166
morpholin-2-ylmethyl N-benzylcarbamate
CID 107654723
[(1S)-2-amino-1-cyclopropyl-2-oxoethyl] N-benzylcarbamate
CID 175144883
benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410036
benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 171410240

Frequently Asked Questions

What is the IUPAC name of [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
The IUPAC name of [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride (CID 164860673) is [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride.
What is the SMILES notation for [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
The canonical SMILES for [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride is Cl.O=C(NCc1ccccc1)OCC1(c2ncc(F)s2)C2CNCC21.
What is the InChIKey of [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
The InChIKey is XSFMQTLTNHQQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S.ClH/c18-14-9-20-15(24-14)17(12-7-19-8-13(12)17)10-23-16(22)21-6-11-4-2-1-3-5-11;/h1-5,9,12-13,19H,6-8,10H2,(H,21,22);1H.
What are the key properties of [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride?
[6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-fluoro-1,3-thiazol-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl N-benzylcarbamate;hydrochloride is sourced from PubChem (CID 164860673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).