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

C6H9BrN2OS — CID 66859970

IUPAC5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(Br)cn1CCOC
InChIInChI=1S/C6H9BrN2OS/c1-10-3-2-9-4-5(7)11-6(9)8/h4,8H,2-3H2,1H3/b8-6-
InChIKeyNKXMONRWNKLQMH-VURMDHGXSA-N
MW237.12 g/mol
LogP1.44
Rot. Bonds3

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

5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine (PubChem CID 66859970) has the molecular formula C6H9BrN2OS and a molecular weight of 237.12 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine
PubChem CID66859970
Molecular FormulaC6H9BrN2OS
Molecular Weight237.12 g/mol
Exact Mass235.96
IUPAC Name5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(Br)cn1CCOC
InChIInChI=1S/C6H9BrN2OS/c1-10-3-2-9-4-5(7)11-6(9)8/h4,8H,2-3H2,1H3/b8-6-
InChIKeyNKXMONRWNKLQMH-VURMDHGXSA-N
XLogP1.44
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.12
LogP ≤ 51.44
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?
The IUPAC name of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine (CID 66859970) is 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine is [H]/N=c1\sc(Br)cn1CCOC.
What is the InChIKey of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
The InChIKey is NKXMONRWNKLQMH-VURMDHGXSA-N. The full InChI is InChI=1S/C6H9BrN2OS/c1-10-3-2-9-4-5(7)11-6(9)8/h4,8H,2-3H2,1H3/b8-6-.
What are the key properties of 5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine?
5-bromo-3-(2-methoxyethyl)-1,3-thiazol-2-imine has a molecular weight of 237.12 g/mol, XLogP of 1.44, 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 is sourced from PubChem (CID 66859970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).