4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine

C20H15FN2O2S3 — CID 23372674

IUPAC4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(-c3csc(N)n3)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2O2S3/c1-28(24,25)15-8-4-12(5-9-15)16-10-18(17-11-26-20(22)23-17)27-19(16)13-2-6-14(21)7-3-13/h2-11H,1H3,(H2,22,23)
InChIKeyYSTDXGXLDOMDMZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.33
Rot. Bonds4

About 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine

4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine (PubChem CID 23372674) has the molecular formula C20H15FN2O2S3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine
PubChem CID23372674
Molecular FormulaC20H15FN2O2S3
Molecular Weight430.55 g/mol
Exact Mass430.03
IUPAC Name4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(-c3csc(N)n3)sc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H15FN2O2S3/c1-28(24,25)15-8-4-12(5-9-15)16-10-18(17-11-26-20(22)23-17)27-19(16)13-2-6-14(21)7-3-13/h2-11H,1H3,(H2,22,23)
InChIKeyYSTDXGXLDOMDMZ-UHFFFAOYSA-N
XLogP5.33
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine (CID 23372674) is 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine is CS(=O)(=O)c1ccc(-c2cc(-c3csc(N)n3)sc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine?
The InChIKey is YSTDXGXLDOMDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S3/c1-28(24,25)15-8-4-12(5-9-15)16-10-18(17-11-26-20(22)23-17)27-19(16)13-2-6-14(21)7-3-13/h2-11H,1H3,(H2,22,23).
What are the key properties of 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine?
4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine has a molecular weight of 430.55 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)thiophen-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 23372674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).