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

C4H6BrClN2S — CID 44630590

IUPAC(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(Br)cs1
InChIInChI=1S/C4H5BrN2S.ClH/c5-3-2-8-4(1-6)7-3;/h2H,1,6H2;1H
InChIKeyGCYLPOFJYZDHDE-UHFFFAOYSA-N
MW229.53 g/mol
LogP1.79
Rot. Bonds1

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

(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride (PubChem CID 44630590) has the molecular formula C4H6BrClN2S and a molecular weight of 229.53 g/mol. Its IUPAC name is (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
PubChem CID44630590
Molecular FormulaC4H6BrClN2S
Molecular Weight229.53 g/mol
Exact Mass227.91
IUPAC Name(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nc(Br)cs1
InChIInChI=1S/C4H5BrN2S.ClH/c5-3-2-8-4(1-6)7-3;/h2H,1,6H2;1H
InChIKeyGCYLPOFJYZDHDE-UHFFFAOYSA-N
XLogP1.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.53
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride (CID 44630590) is (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride is Cl.NCc1nc(Br)cs1.
What is the InChIKey of (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride?
The InChIKey is GCYLPOFJYZDHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2S.ClH/c5-3-2-8-4(1-6)7-3;/h2H,1,6H2;1H.
What are the key properties of (4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride?
(4-bromo-1,3-thiazol-2-yl)methanamine;hydrochloride has a molecular weight of 229.53 g/mol, XLogP of 1.79, 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;hydrochloride is sourced from PubChem (CID 44630590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).