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

C5H7BrN2OS — CID 141146202

IUPAC5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(Br)cn1COC
InChIInChI=1S/C5H7BrN2OS/c1-9-3-8-2-4(6)10-5(8)7/h2,7H,3H2,1H3/b7-5-
InChIKeyNLGNIDXTYJMKBJ-ALCCZGGFSA-N
MW223.09 g/mol
LogP1.40
Rot. Bonds2

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

5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine (PubChem CID 141146202) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine
PubChem CID141146202
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(Br)cn1COC
InChIInChI=1S/C5H7BrN2OS/c1-9-3-8-2-4(6)10-5(8)7/h2,7H,3H2,1H3/b7-5-
InChIKeyNLGNIDXTYJMKBJ-ALCCZGGFSA-N
XLogP1.40
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine?
The IUPAC name of 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine (CID 141146202) is 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine?
The canonical SMILES for 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine is [H]/N=c1\sc(Br)cn1COC.
What is the InChIKey of 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine?
The InChIKey is NLGNIDXTYJMKBJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c1-9-3-8-2-4(6)10-5(8)7/h2,7H,3H2,1H3/b7-5-.
What are the key properties of 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine?
5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine has a molecular weight of 223.09 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(methoxymethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 141146202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).