2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride

C6H12ClN3O2S2 — CID 130345165

IUPAC2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)c1cnc(CN)s1
InChIInChI=1S/C6H11N3O2S2.ClH/c7-1-2-13(10,11)6-4-9-5(3-8)12-6;/h4H,1-3,7-8H2;1H
InChIKeyZVRVORAWNGMZBQ-UHFFFAOYSA-N
MW257.77 g/mol
LogP-0.24
Rot. Bonds4

About 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride

2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride (PubChem CID 130345165) has the molecular formula C6H12ClN3O2S2 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride
PubChem CID130345165
Molecular FormulaC6H12ClN3O2S2
Molecular Weight257.77 g/mol
Exact Mass257.01
IUPAC Name2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)c1cnc(CN)s1
InChIInChI=1S/C6H11N3O2S2.ClH/c7-1-2-13(10,11)6-4-9-5(3-8)12-6;/h4H,1-3,7-8H2;1H
InChIKeyZVRVORAWNGMZBQ-UHFFFAOYSA-N
XLogP-0.24
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride?
The IUPAC name of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride (CID 130345165) is 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride is Cl.NCCS(=O)(=O)c1cnc(CN)s1.
What is the InChIKey of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride?
The InChIKey is ZVRVORAWNGMZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2.ClH/c7-1-2-13(10,11)6-4-9-5(3-8)12-6;/h4H,1-3,7-8H2;1H.
What are the key properties of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride?
2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride has a molecular weight of 257.77 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride is sourced from PubChem (CID 130345165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).