[5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride

C12H15ClN2O2S2 — CID 130345155

IUPAC[5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)c1cnc(CN)s1.Cl
InChIInChI=1S/C12H14N2O2S2.ClH/c1-2-9-5-3-4-6-10(9)18(15,16)12-8-14-11(7-13)17-12;/h3-6,8H,2,7,13H2,1H3;1H
InChIKeyUCIHUJAYGNPFGL-UHFFFAOYSA-N
MW318.85 g/mol
LogP2.42
Rot. Bonds4

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

[5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 130345155) has the molecular formula C12H15ClN2O2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID130345155
Molecular FormulaC12H15ClN2O2S2
Molecular Weight318.85 g/mol
Exact Mass318.03
IUPAC Name[5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCCc1ccccc1S(=O)(=O)c1cnc(CN)s1.Cl
InChIInChI=1S/C12H14N2O2S2.ClH/c1-2-9-5-3-4-6-10(9)18(15,16)12-8-14-11(7-13)17-12;/h3-6,8H,2,7,13H2,1H3;1H
InChIKeyUCIHUJAYGNPFGL-UHFFFAOYSA-N
XLogP2.42
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 130345155) is [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride is CCc1ccccc1S(=O)(=O)c1cnc(CN)s1.Cl.
What is the InChIKey of [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is UCIHUJAYGNPFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2.ClH/c1-2-9-5-3-4-6-10(9)18(15,16)12-8-14-11(7-13)17-12;/h3-6,8H,2,7,13H2,1H3;1H.
What are the key properties of [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
[5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-ethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 130345155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).