3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane

C12H18N2OS — CID 168961102

IUPAC3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane
SMILESCC.Cc1csc(C(=O)N2CC3CC3C2)n1
InChIInChI=1S/C10H12N2OS.C2H6/c1-6-5-14-9(11-6)10(13)12-3-7-2-8(7)4-12;1-2/h5,7-8H,2-4H2,1H3;1-2H3
InChIKeyLUCVLRZYWFSYSG-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.57
Rot. Bonds1

About 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane

3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane (PubChem CID 168961102) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane.

Molecular Properties

Compound Name3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane
PubChem CID168961102
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane
SMILESCC.Cc1csc(C(=O)N2CC3CC3C2)n1
InChIInChI=1S/C10H12N2OS.C2H6/c1-6-5-14-9(11-6)10(13)12-3-7-2-8(7)4-12;1-2/h5,7-8H,2-4H2,1H3;1-2H3
InChIKeyLUCVLRZYWFSYSG-UHFFFAOYSA-N
XLogP2.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane?
The IUPAC name of 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane (CID 168961102) is 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane.
What is the SMILES notation for 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane?
The canonical SMILES for 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane is CC.Cc1csc(C(=O)N2CC3CC3C2)n1.
What is the InChIKey of 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane?
The InChIKey is LUCVLRZYWFSYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS.C2H6/c1-6-5-14-9(11-6)10(13)12-3-7-2-8(7)4-12;1-2/h5,7-8H,2-4H2,1H3;1-2H3.
What are the key properties of 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane?
3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane has a molecular weight of 238.36 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.1.0]hexan-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone;ethane is sourced from PubChem (CID 168961102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).