5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine

C19H19ClN2O2S — CID 135809928

IUPAC5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N/C1=N\CC(C)c1ccccc1
InChIInChI=1S/C19H19ClN2O2S/c1-13(15-6-4-3-5-7-15)12-21-19-14(2)18(25(23,24)22-19)16-8-10-17(20)11-9-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyROYGYRVSYPJXAG-UHFFFAOYSA-N
MW374.89 g/mol
LogP4.21
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine

5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine (PubChem CID 135809928) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine
PubChem CID135809928
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(Cl)cc2)S(=O)(=O)N/C1=N\CC(C)c1ccccc1
InChIInChI=1S/C19H19ClN2O2S/c1-13(15-6-4-3-5-7-15)12-21-19-14(2)18(25(23,24)22-19)16-8-10-17(20)11-9-16/h3-11,13H,12H2,1-2H3,(H,21,22)
InChIKeyROYGYRVSYPJXAG-UHFFFAOYSA-N
XLogP4.21
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine (CID 135809928) is 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine is CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N/C1=N\CC(C)c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine?
The InChIKey is ROYGYRVSYPJXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-13(15-6-4-3-5-7-15)12-21-19-14(2)18(25(23,24)22-19)16-8-10-17(20)11-9-16/h3-11,13H,12H2,1-2H3,(H,21,22).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine?
5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine has a molecular weight of 374.89 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-1,1-dioxo-N-(2-phenylpropyl)-1,2-thiazol-3-imine is sourced from PubChem (CID 135809928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).