(4-bromo-1,3-thiazol-2-yl)methanamine

C4H5BrN2S — CID 44630591

IUPAC(4-bromo-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(Br)cs1
InChIInChI=1S/C4H5BrN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2
InChIKeyTWNJOLKBUQYMEW-UHFFFAOYSA-N
MW193.07 g/mol
LogP1.36
Rot. Bonds1

About (4-bromo-1,3-thiazol-2-yl)methanamine

(4-bromo-1,3-thiazol-2-yl)methanamine (PubChem CID 44630591) has the molecular formula C4H5BrN2S and a molecular weight of 193.07 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)methanamine
PubChem CID44630591
Molecular FormulaC4H5BrN2S
Molecular Weight193.07 g/mol
Exact Mass191.94
IUPAC Name(4-bromo-1,3-thiazol-2-yl)methanamine
SMILESNCc1nc(Br)cs1
InChIInChI=1S/C4H5BrN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2
InChIKeyTWNJOLKBUQYMEW-UHFFFAOYSA-N
XLogP1.36
TPSA38.91 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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-bromo-1,3-thiazol-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)methanamine (CID 44630591) is (4-bromo-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)methanamine is NCc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)methanamine?
The InChIKey is TWNJOLKBUQYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S/c5-3-2-8-4(1-6)7-3/h2H,1,6H2.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)methanamine?
(4-bromo-1,3-thiazol-2-yl)methanamine has a molecular weight of 193.07 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 44630591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).