6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone

C18H27N3O2S — CID 75425055

IUPAC6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCOC(C)c1nc(CN2CCN(C(=O)C3C4CCCC43)CC2)cs1
InChIInChI=1S/C18H27N3O2S/c1-12(23-2)17-19-13(11-24-17)10-20-6-8-21(9-7-20)18(22)16-14-4-3-5-15(14)16/h11-12,14-16H,3-10H2,1-2H3
InChIKeyYLVHNNAXXXGWNN-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.54
Rot. Bonds5

About 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone

6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone (PubChem CID 75425055) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
PubChem CID75425055
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
SMILESCOC(C)c1nc(CN2CCN(C(=O)C3C4CCCC43)CC2)cs1
InChIInChI=1S/C18H27N3O2S/c1-12(23-2)17-19-13(11-24-17)10-20-6-8-21(9-7-20)18(22)16-14-4-3-5-15(14)16/h11-12,14-16H,3-10H2,1-2H3
InChIKeyYLVHNNAXXXGWNN-UHFFFAOYSA-N
XLogP2.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone (CID 75425055) is 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone is COC(C)c1nc(CN2CCN(C(=O)C3C4CCCC43)CC2)cs1.
What is the InChIKey of 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is YLVHNNAXXXGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(23-2)17-19-13(11-24-17)10-20-6-8-21(9-7-20)18(22)16-14-4-3-5-15(14)16/h11-12,14-16H,3-10H2,1-2H3.
What are the key properties of 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone?
6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 349.50 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bicyclo[3.1.0]hexanyl-[4-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 75425055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).