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

C6H10Br2N2OS — CID 66859969

IUPAC5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sc(Br)cn1CCOC
InChIInChI=1S/C6H9BrN2OS.BrH/c1-10-3-2-9-4-5(7)11-6(9)8;/h4,8H,2-3H2,1H3;1H/b8-6-;
InChIKeyNHIBLUFOVLLRQE-PHZXCRFESA-N
MW318.03 g/mol
LogP2.02
Rot. Bonds3

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

5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide (PubChem CID 66859969) has the molecular formula C6H10Br2N2OS and a molecular weight of 318.03 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
PubChem CID66859969
Molecular FormulaC6H10Br2N2OS
Molecular Weight318.03 g/mol
Exact Mass315.89
IUPAC Name5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\sc(Br)cn1CCOC
InChIInChI=1S/C6H9BrN2OS.BrH/c1-10-3-2-9-4-5(7)11-6(9)8;/h4,8H,2-3H2,1H3;1H/b8-6-;
InChIKeyNHIBLUFOVLLRQE-PHZXCRFESA-N
XLogP2.02
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.03
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide (CID 66859969) is 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide is Br.[H]/N=c1\sc(Br)cn1CCOC.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
The InChIKey is NHIBLUFOVLLRQE-PHZXCRFESA-N. The full InChI is InChI=1S/C6H9BrN2OS.BrH/c1-10-3-2-9-4-5(7)11-6(9)8;/h4,8H,2-3H2,1H3;1H/b8-6-;.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide?
5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide has a molecular weight of 318.03 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine;hydrobromide is sourced from PubChem (CID 66859969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).