[5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone

C16H15FN2OS — CID 70864541

IUPAC[5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone
SMILESC[C@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ncsc1-c1ccccc1F
InChIInChI=1S/C16H15FN2OS/c1-9-6-10-7-13(10)19(9)16(20)14-15(21-8-18-14)11-4-2-3-5-12(11)17/h2-5,8-10,13H,6-7H2,1H3/t9-,10+,13-/m0/s1
InChIKeyWWIWELQSVKLLTQ-CWSCBRNRSA-N
MW302.37 g/mol
LogP3.57
Rot. Bonds2

About [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone

[5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone (PubChem CID 70864541) has the molecular formula C16H15FN2OS and a molecular weight of 302.37 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone
PubChem CID70864541
Molecular FormulaC16H15FN2OS
Molecular Weight302.37 g/mol
Exact Mass302.09
IUPAC Name[5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone
SMILESC[C@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ncsc1-c1ccccc1F
InChIInChI=1S/C16H15FN2OS/c1-9-6-10-7-13(10)19(9)16(20)14-15(21-8-18-14)11-4-2-3-5-12(11)17/h2-5,8-10,13H,6-7H2,1H3/t9-,10+,13-/m0/s1
InChIKeyWWIWELQSVKLLTQ-CWSCBRNRSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
The IUPAC name of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone (CID 70864541) is [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone.
What is the SMILES notation for [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
The canonical SMILES for [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone is C[C@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ncsc1-c1ccccc1F.
What is the InChIKey of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
The InChIKey is WWIWELQSVKLLTQ-CWSCBRNRSA-N. The full InChI is InChI=1S/C16H15FN2OS/c1-9-6-10-7-13(10)19(9)16(20)14-15(21-8-18-14)11-4-2-3-5-12(11)17/h2-5,8-10,13H,6-7H2,1H3/t9-,10+,13-/m0/s1.
What are the key properties of [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone?
[5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone has a molecular weight of 302.37 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1,3-thiazol-4-yl]-[(1S,3S,5S)-3-methyl-2-azabicyclo[3.1.0]hexan-2-yl]methanone is sourced from PubChem (CID 70864541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).