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

C16H15ClN2O2S2 — CID 138618971

IUPAC[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C16H14N2O2S2.ClH/c17-10-15-18-11-16(21-15)22(19,20)14-8-4-7-13(9-14)12-5-2-1-3-6-12;/h1-9,11H,10,17H2;1H
InChIKeyFHZUCHBIMYPQJJ-UHFFFAOYSA-N
MW366.90 g/mol
LogP3.52
Rot. Bonds4

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

[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride (PubChem CID 138618971) has the molecular formula C16H15ClN2O2S2 and a molecular weight of 366.90 g/mol. Its IUPAC name is [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
PubChem CID138618971
Molecular FormulaC16H15ClN2O2S2
Molecular Weight366.90 g/mol
Exact Mass366.03
IUPAC Name[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C16H14N2O2S2.ClH/c17-10-15-18-11-16(21-15)22(19,20)14-8-4-7-13(9-14)12-5-2-1-3-6-12;/h1-9,11H,10,17H2;1H
InChIKeyFHZUCHBIMYPQJJ-UHFFFAOYSA-N
XLogP3.52
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The IUPAC name of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride (CID 138618971) is [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride is Cl.NCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1.
What is the InChIKey of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
The InChIKey is FHZUCHBIMYPQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2.ClH/c17-10-15-18-11-16(21-15)22(19,20)14-8-4-7-13(9-14)12-5-2-1-3-6-12;/h1-9,11H,10,17H2;1H.
What are the key properties of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride?
[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride has a molecular weight of 366.90 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 138618971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).