(2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone

C23H18N2O3S2 — CID 46229323

IUPAC(2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S2/c1-30(27,28)19-14-12-17(13-15-19)21(26)22-20(16-8-4-2-5-9-16)25-23(29-22)24-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25)
InChIKeyIILYBKYBRATCRC-UHFFFAOYSA-N
MW434.54 g/mol
LogP5.19
Rot. Bonds6

About (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone

(2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone (PubChem CID 46229323) has the molecular formula C23H18N2O3S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone
PubChem CID46229323
Molecular FormulaC23H18N2O3S2
Molecular Weight434.54 g/mol
Exact Mass434.08
IUPAC Name(2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S2/c1-30(27,28)19-14-12-17(13-15-19)21(26)22-20(16-8-4-2-5-9-16)25-23(29-22)24-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25)
InChIKeyIILYBKYBRATCRC-UHFFFAOYSA-N
XLogP5.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone?
The IUPAC name of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone (CID 46229323) is (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone?
The InChIKey is IILYBKYBRATCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S2/c1-30(27,28)19-14-12-17(13-15-19)21(26)22-20(16-8-4-2-5-9-16)25-23(29-22)24-18-10-6-3-7-11-18/h2-15H,1H3,(H,24,25).
What are the key properties of (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone?
(2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone has a molecular weight of 434.54 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-4-phenyl-1,3-thiazol-5-yl)-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 46229323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).