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

C17H16N2O4S3 — CID 130345178

IUPAC[5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C17H16N2O4S3/c1-25(20,21)14-7-13(12-5-3-2-4-6-12)8-15(9-14)26(22,23)17-11-19-16(10-18)24-17/h2-9,11H,10,18H2,1H3
InChIKeyHQPYHGXLGJSYMM-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.51
Rot. Bonds5

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

[5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130345178) has the molecular formula C17H16N2O4S3 and a molecular weight of 408.53 g/mol. Its IUPAC name is [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130345178
Molecular FormulaC17H16N2O4S3
Molecular Weight408.53 g/mol
Exact Mass408.03
IUPAC Name[5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C17H16N2O4S3/c1-25(20,21)14-7-13(12-5-3-2-4-6-12)8-15(9-14)26(22,23)17-11-19-16(10-18)24-17/h2-9,11H,10,18H2,1H3
InChIKeyHQPYHGXLGJSYMM-UHFFFAOYSA-N
XLogP2.51
TPSA107.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(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-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
[5-(3-Methylsulfonyl-5-phenylphenyl)sulfanyl-1,3-thiazol-2-yl]methanamine
CID 155515256

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130345178) is [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is HQPYHGXLGJSYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S3/c1-25(20,21)14-7-13(12-5-3-2-4-6-12)8-15(9-14)26(22,23)17-11-19-16(10-18)24-17/h2-9,11H,10,18H2,1H3.
What are the key properties of [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 408.53 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylsulfonyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130345178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).