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

C14H19ClN2O2S2 — CID 130345243

IUPAC[5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCCc1cc(CC)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl
InChIInChI=1S/C14H18N2O2S2.ClH/c1-3-10-5-11(4-2)7-12(6-10)20(17,18)14-9-16-13(8-15)19-14;/h5-7,9H,3-4,8,15H2,1-2H3;1H
InChIKeyUBGUQCTXCYHWHO-UHFFFAOYSA-N
MW346.91 g/mol
LogP2.98
Rot. Bonds5

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

[5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 130345243) has the molecular formula C14H19ClN2O2S2 and a molecular weight of 346.91 g/mol. Its IUPAC name is [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID130345243
Molecular FormulaC14H19ClN2O2S2
Molecular Weight346.91 g/mol
Exact Mass346.06
IUPAC Name[5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCCc1cc(CC)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl
InChIInChI=1S/C14H18N2O2S2.ClH/c1-3-10-5-11(4-2)7-12(6-10)20(17,18)14-9-16-13(8-15)19-14;/h5-7,9H,3-4,8,15H2,1-2H3;1H
InChIKeyUBGUQCTXCYHWHO-UHFFFAOYSA-N
XLogP2.98
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 130345243) is [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride is CCc1cc(CC)cc(S(=O)(=O)c2cnc(CN)s2)c1.Cl.
What is the InChIKey of [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is UBGUQCTXCYHWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2.ClH/c1-3-10-5-11(4-2)7-12(6-10)20(17,18)14-9-16-13(8-15)19-14;/h5-7,9H,3-4,8,15H2,1-2H3;1H.
What are the key properties of [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
[5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 346.91 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-diethylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 130345243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).