1,2-thiazol-3-ylmethanamine;hydrochloride

C4H7ClN2S — CID 122236341

IUPAC1,2-thiazol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1ccsn1
InChIInChI=1S/C4H6N2S.ClH/c5-3-4-1-2-7-6-4;/h1-2H,3,5H2;1H
InChIKeyJCMGLXWYLXYECG-UHFFFAOYSA-N
MW150.63 g/mol
LogP1.02
Rot. Bonds1

About 1,2-thiazol-3-ylmethanamine;hydrochloride

1,2-thiazol-3-ylmethanamine;hydrochloride (PubChem CID 122236341) has the molecular formula C4H7ClN2S and a molecular weight of 150.63 g/mol. Its IUPAC name is 1,2-thiazol-3-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name1,2-thiazol-3-ylmethanamine;hydrochloride
PubChem CID122236341
Molecular FormulaC4H7ClN2S
Molecular Weight150.63 g/mol
Exact Mass150.00
IUPAC Name1,2-thiazol-3-ylmethanamine;hydrochloride
SMILESCl.NCc1ccsn1
InChIInChI=1S/C4H6N2S.ClH/c5-3-4-1-2-7-6-4;/h1-2H,3,5H2;1H
InChIKeyJCMGLXWYLXYECG-UHFFFAOYSA-N
XLogP1.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.63
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-thiazol-3-ylmethanamine;hydrochloride?
The IUPAC name of 1,2-thiazol-3-ylmethanamine;hydrochloride (CID 122236341) is 1,2-thiazol-3-ylmethanamine;hydrochloride.
What is the SMILES notation for 1,2-thiazol-3-ylmethanamine;hydrochloride?
The canonical SMILES for 1,2-thiazol-3-ylmethanamine;hydrochloride is Cl.NCc1ccsn1.
What is the InChIKey of 1,2-thiazol-3-ylmethanamine;hydrochloride?
The InChIKey is JCMGLXWYLXYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.ClH/c5-3-4-1-2-7-6-4;/h1-2H,3,5H2;1H.
What are the key properties of 1,2-thiazol-3-ylmethanamine;hydrochloride?
1,2-thiazol-3-ylmethanamine;hydrochloride has a molecular weight of 150.63 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-thiazol-3-ylmethanamine;hydrochloride is sourced from PubChem (CID 122236341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).