3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide

C7H13BrN2OS — CID 66860199

IUPAC3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sc(C)cn1CCOC
InChIInChI=1S/C7H12N2OS.BrH/c1-6-5-9(3-4-10-2)7(8)11-6;/h5,8H,3-4H2,1-2H3;1H/b8-7-;
InChIKeyHSYFZZQUOVXQBG-CFYXSCKTSA-N
MW253.16 g/mol
LogP1.56
Rot. Bonds3

About 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide

3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide (PubChem CID 66860199) has the molecular formula C7H13BrN2OS and a molecular weight of 253.16 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide
PubChem CID66860199
Molecular FormulaC7H13BrN2OS
Molecular Weight253.16 g/mol
Exact Mass251.99
IUPAC Name3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sc(C)cn1CCOC
InChIInChI=1S/C7H12N2OS.BrH/c1-6-5-9(3-4-10-2)7(8)11-6;/h5,8H,3-4H2,1-2H3;1H/b8-7-;
InChIKeyHSYFZZQUOVXQBG-CFYXSCKTSA-N
XLogP1.56
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide (CID 66860199) is 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide is Br.[H]/N=c1\sc(C)cn1CCOC.
What is the InChIKey of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is HSYFZZQUOVXQBG-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H12N2OS.BrH/c1-6-5-9(3-4-10-2)7(8)11-6;/h5,8H,3-4H2,1-2H3;1H/b8-7-;.
What are the key properties of 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide?
3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 253.16 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-methyl-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 66860199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).