5-bromo-N-methyl-1,3-thiazol-2-amine

C4H5BrN2S — CID 51072238

IUPAC5-bromo-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(Br)s1
InChIInChI=1S/C4H5BrN2S/c1-6-4-7-2-3(5)8-4/h2H,1H3,(H,6,7)
InChIKeyUMAGIJRKXXQSNN-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.95
Rot. Bonds1

About 5-bromo-N-methyl-1,3-thiazol-2-amine

5-bromo-N-methyl-1,3-thiazol-2-amine (PubChem CID 51072238) has the molecular formula C4H5BrN2S and a molecular weight of 193.07 g/mol. Its IUPAC name is 5-bromo-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-1,3-thiazol-2-amine
PubChem CID51072238
Molecular FormulaC4H5BrN2S
Molecular Weight193.07 g/mol
Exact Mass191.94
IUPAC Name5-bromo-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(Br)s1
InChIInChI=1S/C4H5BrN2S/c1-6-4-7-2-3(5)8-4/h2H,1H3,(H,6,7)
InChIKeyUMAGIJRKXXQSNN-UHFFFAOYSA-N
XLogP1.95
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-1,3-thiazol-2-amine (CID 51072238) is 5-bromo-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-1,3-thiazol-2-amine is CNc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UMAGIJRKXXQSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S/c1-6-4-7-2-3(5)8-4/h2H,1H3,(H,6,7).
What are the key properties of 5-bromo-N-methyl-1,3-thiazol-2-amine?
5-bromo-N-methyl-1,3-thiazol-2-amine has a molecular weight of 193.07 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 51072238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).