5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

C18H17BrN2O2S — CID 22512268

IUPAC5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C
InChIInChI=1S/C18H17BrN2O2S/c1-11-7-8-16(12(2)9-11)20-18-13(3)17(24(22,23)21-18)14-5-4-6-15(19)10-14/h4-10H,1-3H3,(H,20,21)
InChIKeyZHUBCQIVWXKFOR-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.65
Rot. Bonds2

About 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine

5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (PubChem CID 22512268) has the molecular formula C18H17BrN2O2S and a molecular weight of 405.32 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
PubChem CID22512268
Molecular FormulaC18H17BrN2O2S
Molecular Weight405.32 g/mol
Exact Mass404.02
IUPAC Name5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine
SMILESCC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C
InChIInChI=1S/C18H17BrN2O2S/c1-11-7-8-16(12(2)9-11)20-18-13(3)17(24(22,23)21-18)14-5-4-6-15(19)10-14/h4-10H,1-3H3,(H,20,21)
InChIKeyZHUBCQIVWXKFOR-UHFFFAOYSA-N
XLogP4.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The IUPAC name of 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine (CID 22512268) is 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The canonical SMILES for 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1Nc1ccc(C)cc1C.
What is the InChIKey of 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
The InChIKey is ZHUBCQIVWXKFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN2O2S/c1-11-7-8-16(12(2)9-11)20-18-13(3)17(24(22,23)21-18)14-5-4-6-15(19)10-14/h4-10H,1-3H3,(H,20,21).
What are the key properties of 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine?
5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine has a molecular weight of 405.32 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-(2,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-amine is sourced from PubChem (CID 22512268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).