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

C18H17ClN2O3S — CID 22511897

IUPACN-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine
SMILESCOc1ccc(NC2=NS(=O)(=O)C(c3ccc(C)cc3)=C2C)cc1Cl
InChIInChI=1S/C18H17ClN2O3S/c1-11-4-6-13(7-5-11)17-12(2)18(21-25(17,22)23)20-14-8-9-16(24-3)15(19)10-14/h4-10H,1-3H3,(H,20,21)
InChIKeyOZUMVXTXXSUYNT-UHFFFAOYSA-N
MW376.87 g/mol
LogP4.24
Rot. Bonds3

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

N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 22511897) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID22511897
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine
SMILESCOc1ccc(NC2=NS(=O)(=O)C(c3ccc(C)cc3)=C2C)cc1Cl
InChIInChI=1S/C18H17ClN2O3S/c1-11-4-6-13(7-5-11)17-12(2)18(21-25(17,22)23)20-14-8-9-16(24-3)15(19)10-14/h4-10H,1-3H3,(H,20,21)
InChIKeyOZUMVXTXXSUYNT-UHFFFAOYSA-N
XLogP4.24
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine (CID 22511897) is N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine is COc1ccc(NC2=NS(=O)(=O)C(c3ccc(C)cc3)=C2C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is OZUMVXTXXSUYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c1-11-4-6-13(7-5-11)17-12(2)18(21-25(17,22)23)20-14-8-9-16(24-3)15(19)10-14/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine?
N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 376.87 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 22511897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).