3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine

C7H9BrN2S — CID 169474840

IUPAC3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1csc(Br)n1
InChIInChI=1S/C7H9BrN2S/c1-9-4-2-3-6-5-11-7(8)10-6/h2-3,5,9H,4H2,1H3
InChIKeyFIAURARWFHQRBM-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.14
Rot. Bonds3

About 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine

3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine (PubChem CID 169474840) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine
PubChem CID169474840
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine
SMILESCNCC=Cc1csc(Br)n1
InChIInChI=1S/C7H9BrN2S/c1-9-4-2-3-6-5-11-7(8)10-6/h2-3,5,9H,4H2,1H3
InChIKeyFIAURARWFHQRBM-UHFFFAOYSA-N
XLogP2.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine?
The IUPAC name of 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine (CID 169474840) is 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine is CNCC=Cc1csc(Br)n1.
What is the InChIKey of 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine?
The InChIKey is FIAURARWFHQRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c1-9-4-2-3-6-5-11-7(8)10-6/h2-3,5,9H,4H2,1H3.
What are the key properties of 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine?
3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine has a molecular weight of 233.13 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-1,3-thiazol-4-yl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 169474840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).