N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine

C17H16N2O2S — CID 135810099

IUPACN-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
SMILESCC1=C(c2ccccc2)S(=O)(=O)N/C1=N\Cc1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-13-16(15-10-6-3-7-11-15)22(20,21)19-17(13)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,18,19)
InChIKeyREUDLMLRVKBRSB-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.95
Rot. Bonds3

About N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine

N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine (PubChem CID 135810099) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine.

Molecular Properties

Compound NameN-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
PubChem CID135810099
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine
SMILESCC1=C(c2ccccc2)S(=O)(=O)N/C1=N\Cc1ccccc1
InChIInChI=1S/C17H16N2O2S/c1-13-16(15-10-6-3-7-11-15)22(20,21)19-17(13)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,18,19)
InChIKeyREUDLMLRVKBRSB-UHFFFAOYSA-N
XLogP2.95
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(benzenesulfonyl)-N'-(2-cyanoethyl)benzenecarboximidamide
CID 2305296
N-isopropyl-N'-[(4-methylphenyl)sulfonyl]benzenecarboximidamide
CID 2946840
N-(benzenesulfonyl)-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 4414226
1,2-Benzisothiazol-3-amine, N-(phenylmethyl)-, 1,1-dioxide
CID 135401644
N'-[[3-[[(4-methylphenyl)sulfonylamino]methyl]phenyl]methyl]ethanimidamide;hydrochloride
CID 25231830
N'-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)sulfonylbenzenecarboximidamide
CID 2364800
N-Benzyl-4-methanesulfonyl-benzamidine
CID 44374891
N-benzyl-2-fluoro-N'-(phenylsulfonyl)benzenecarboximidamide
CID 2946972
(Z)-N-Cyclohexyl-4-fluoro-N'-(4-methylbenzenesulfonyl)benzene-1-carboximidamide
CID 4303673
N-(2-fluorobenzyl)-5-(4-fluorophenyl)-4-methylisothiazol-3-amine 1,1-dioxide
CID 135437071
5-(3-Chlorophenyl)-4-methyl-N-(2-methylbenzyl)-3-isothiazolamine 1,1-dioxide
CID 135546899
5-(4-isopropylphenyl)-4-methyl-3-[(2-methylbenzyl)amino]-1H-1lambda~6~-isothiazole-1,1-dione
CID 135546903

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
The IUPAC name of N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine (CID 135810099) is N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine.
What is the SMILES notation for N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
The canonical SMILES for N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine is CC1=C(c2ccccc2)S(=O)(=O)N/C1=N\Cc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
The InChIKey is REUDLMLRVKBRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-13-16(15-10-6-3-7-11-15)22(20,21)19-17(13)18-12-14-8-4-2-5-9-14/h2-11H,12H2,1H3,(H,18,19).
What are the key properties of N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine?
N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine has a molecular weight of 312.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-imine is sourced from PubChem (CID 135810099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).