3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide

C6H11BrN2OS — CID 66860916

IUPAC3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sccn1CCOC
InChIInChI=1S/C6H10N2OS.BrH/c1-9-4-2-8-3-5-10-6(8)7;/h3,5,7H,2,4H2,1H3;1H/b7-6-;
InChIKeySJKRKEZLBDZRPS-NAFXZHHSSA-N
MW239.14 g/mol
LogP1.25
Rot. Bonds3

About 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide

3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide (PubChem CID 66860916) has the molecular formula C6H11BrN2OS and a molecular weight of 239.14 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
PubChem CID66860916
Molecular FormulaC6H11BrN2OS
Molecular Weight239.14 g/mol
Exact Mass237.98
IUPAC Name3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sccn1CCOC
InChIInChI=1S/C6H10N2OS.BrH/c1-9-4-2-8-3-5-10-6(8)7;/h3,5,7H,2,4H2,1H3;1H/b7-6-;
InChIKeySJKRKEZLBDZRPS-NAFXZHHSSA-N
XLogP1.25
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide (CID 66860916) is 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide is Br.[H]/N=c1\sccn1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is SJKRKEZLBDZRPS-NAFXZHHSSA-N. The full InChI is InChI=1S/C6H10N2OS.BrH/c1-9-4-2-8-3-5-10-6(8)7;/h3,5,7H,2,4H2,1H3;1H/b7-6-;.
What are the key properties of 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 239.14 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 66860916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).