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

C18H18N2O2S2 — CID 130345060

IUPAC[5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C18H18N2O2S2/c1-2-13-8-15(14-6-4-3-5-7-14)10-16(9-13)24(21,22)18-12-20-17(11-19)23-18/h3-10,12H,2,11,19H2,1H3
InChIKeyMRABWNRNUTUZGB-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.66
Rot. Bonds5

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

[5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (PubChem CID 130345060) has the molecular formula C18H18N2O2S2 and a molecular weight of 358.49 g/mol. Its IUPAC name is [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
PubChem CID130345060
Molecular FormulaC18H18N2O2S2
Molecular Weight358.49 g/mol
Exact Mass358.08
IUPAC Name[5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
SMILESCCc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1
InChIInChI=1S/C18H18N2O2S2/c1-2-13-8-15(14-6-4-3-5-7-14)10-16(9-13)24(21,22)18-12-20-17(11-19)23-18/h3-10,12H,2,11,19H2,1H3
InChIKeyMRABWNRNUTUZGB-UHFFFAOYSA-N
XLogP3.66
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.66
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-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
[5-(3-Phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine
CID 130358066

Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine (CID 130345060) is [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is CCc1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1.
What is the InChIKey of [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
The InChIKey is MRABWNRNUTUZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S2/c1-2-13-8-15(14-6-4-3-5-7-14)10-16(9-13)24(21,22)18-12-20-17(11-19)23-18/h3-10,12H,2,11,19H2,1H3.
What are the key properties of [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine?
[5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine has a molecular weight of 358.49 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-5-phenylphenyl)sulfonyl-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 130345060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).