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

C16H14N2O2S2 — CID 130358066

IUPAC[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C16H14N2O2S2/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
InChIKeyZIFBHKQLIVUBDJ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.10
Rot. Bonds4

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

[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130358066) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130358066
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESNCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C16H14N2O2S2/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
InChIKeyZIFBHKQLIVUBDJ-UHFFFAOYSA-N
XLogP3.10
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(1R)-6-(1,3-thiazol-5-ylsulfonyl)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine
CID 46889325
[5-[3-Methylsulfonyl-5-[4-(trifluoromethyl)phenyl]phenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344969
[5-[3-(4-Methylphenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130344977
[5-(Benzenesulfonyl)-1,3-thiazol-2-yl]methanamine
CID 130345003
[5-(3-Ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345060
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 130345096
(5-Naphthalen-2-ylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 130345097
[5-[3-(4-Methylphenyl)-4-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345145
[5-[3-(4-Fluorophenyl)-5-methylsulfonylphenyl]sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345152
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345178
[5-(3-Phenyl-5-propan-2-ylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345306
[5-(3-Tert-butyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345397

Frequently Asked Questions

What is the IUPAC name of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130358066) is [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is NCc1ncc(S(=O)(=O)c2cccc(-c3ccccc3)c2)s1.
What is the InChIKey of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is ZIFBHKQLIVUBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/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.
What are the key properties of [5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-(3-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 330.43 g/mol, XLogP of 3.10, 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 is sourced from PubChem (CID 130358066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).