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

C17H16N2O2S2 — CID 155555668

IUPAC[5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2ccccc2)cc(-c2cnc(CN)s2)c1
InChIInChI=1S/C17H16N2O2S2/c1-23(20,21)15-8-13(12-5-3-2-4-6-12)7-14(9-15)16-11-19-17(10-18)22-16/h2-9,11H,10,18H2,1H3
InChIKeyITCGSPBWZIXXAF-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.34
Rot. Bonds4

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

[5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine (PubChem CID 155555668) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine
PubChem CID155555668
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name[5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2ccccc2)cc(-c2cnc(CN)s2)c1
InChIInChI=1S/C17H16N2O2S2/c1-23(20,21)15-8-13(12-5-3-2-4-6-12)7-14(9-15)16-11-19-17(10-18)22-16/h2-9,11H,10,18H2,1H3
InChIKeyITCGSPBWZIXXAF-UHFFFAOYSA-N
XLogP3.34
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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-(3-Ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130345060
[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
[5-(3-Phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358066
3-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]-N-methyl-5-phenylaniline
CID 130358433
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine
CID 155515256
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfinyl-1,3-thiazol-2-yl]methanamine
CID 155515261

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine (CID 155555668) is [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine is CS(=O)(=O)c1cc(-c2ccccc2)cc(-c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
The InChIKey is ITCGSPBWZIXXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-23(20,21)15-8-13(12-5-3-2-4-6-12)7-14(9-15)16-11-19-17(10-18)22-16/h2-9,11H,10,18H2,1H3.
What are the key properties of [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine?
[5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine has a molecular weight of 344.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylsulfonyl-5-phenylphenyl)-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 155555668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).