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

C7H13BrN2O2S — CID 66860650

IUPAC5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sc(OC)cn1CCOC
InChIInChI=1S/C7H12N2O2S.BrH/c1-10-4-3-9-5-6(11-2)12-7(9)8;/h5,8H,3-4H2,1-2H3;1H/b8-7-;
InChIKeyOAQWNLHQHVDVEP-CFYXSCKTSA-N
MW269.16 g/mol
LogP1.26
Rot. Bonds4

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

5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide (PubChem CID 66860650) has the molecular formula C7H13BrN2O2S and a molecular weight of 269.16 g/mol. Its IUPAC name is 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
PubChem CID66860650
Molecular FormulaC7H13BrN2O2S
Molecular Weight269.16 g/mol
Exact Mass267.99
IUPAC Name5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sc(OC)cn1CCOC
InChIInChI=1S/C7H12N2O2S.BrH/c1-10-4-3-9-5-6(11-2)12-7(9)8;/h5,8H,3-4H2,1-2H3;1H/b8-7-;
InChIKeyOAQWNLHQHVDVEP-CFYXSCKTSA-N
XLogP1.26
TPSA47.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide (CID 66860650) is 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide is Br.[H]/N=c1\sc(OC)cn1CCOC.
What is the InChIKey of 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is OAQWNLHQHVDVEP-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H12N2O2S.BrH/c1-10-4-3-9-5-6(11-2)12-7(9)8;/h5,8H,3-4H2,1-2H3;1H/b8-7-;.
What are the key properties of 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 269.16 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 66860650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).