5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

C17H15FN2O3S — CID 20934689

IUPAC5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCOc1ccc(NC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)cc1
InChIInChI=1S/C17H15FN2O3S/c1-11-16(12-3-5-13(18)6-4-12)24(21,22)20-17(11)19-14-7-9-15(23-2)10-8-14/h3-10H,1-2H3,(H,19,20)
InChIKeyRBELQCOVNNQHHQ-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.42
Rot. Bonds3

About 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 20934689) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID20934689
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCOc1ccc(NC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)cc1
InChIInChI=1S/C17H15FN2O3S/c1-11-16(12-3-5-13(18)6-4-12)24(21,22)20-17(11)19-14-7-9-15(23-2)10-8-14/h3-10H,1-2H3,(H,19,20)
InChIKeyRBELQCOVNNQHHQ-UHFFFAOYSA-N
XLogP3.42
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (CID 20934689) is 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is COc1ccc(NC2=NS(=O)(=O)C(c3ccc(F)cc3)=C2C)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is RBELQCOVNNQHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-11-16(12-3-5-13(18)6-4-12)24(21,22)20-17(11)19-14-7-9-15(23-2)10-8-14/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 346.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 20934689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).