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

C17H16N2O3S — CID 22512499

IUPACN-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine
SMILESCOc1ccc(NC2=NS(=O)(=O)C(c3ccccc3)=C2C)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-16(13-6-4-3-5-7-13)23(20,21)19-17(12)18-14-8-10-15(22-2)11-9-14/h3-11H,1-2H3,(H,18,19)
InChIKeyONISMAWSXYBDBG-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.28
Rot. Bonds3

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

N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine (PubChem CID 22512499) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine
PubChem CID22512499
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine
SMILESCOc1ccc(NC2=NS(=O)(=O)C(c3ccccc3)=C2C)cc1
InChIInChI=1S/C17H16N2O3S/c1-12-16(13-6-4-3-5-7-13)23(20,21)19-17(12)18-14-8-10-15(22-2)11-9-14/h3-11H,1-2H3,(H,18,19)
InChIKeyONISMAWSXYBDBG-UHFFFAOYSA-N
XLogP3.28
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine (CID 22512499) is N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine is COc1ccc(NC2=NS(=O)(=O)C(c3ccccc3)=C2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine?
The InChIKey is ONISMAWSXYBDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-12-16(13-6-4-3-5-7-13)23(20,21)19-17(12)18-14-8-10-15(22-2)11-9-14/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine?
N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine has a molecular weight of 328.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-amine is sourced from PubChem (CID 22512499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).