5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine

C18H17FN2O2S — CID 135735929

IUPAC5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccc(C)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12-3-5-14(6-4-12)11-20-18-13(2)17(24(22,23)21-18)15-7-9-16(19)10-8-15/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyOISNQNKIKHBUPO-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.40
Rot. Bonds3

About 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine

5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine (PubChem CID 135735929) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
PubChem CID135735929
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine
SMILESCC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccc(C)cc1
InChIInChI=1S/C18H17FN2O2S/c1-12-3-5-14(6-4-12)11-20-18-13(2)17(24(22,23)21-18)15-7-9-16(19)10-8-15/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyOISNQNKIKHBUPO-UHFFFAOYSA-N
XLogP3.40
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.40
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

5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-imine
CID 135735953
N-(3,5-dimethylphenyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]acetamide
CID 135706403
2-[[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-(3-methylbutyl)acetamide
CID 135706401
N-[(3-methoxyphenyl)methyl]-4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-imine
CID 135810065
2-[[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-ylidene]amino]-N-[(4-ethoxyphenyl)methyl]acetamide
CID 135706509
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-N,3-N-bis[(4-fluorophenyl)methyl]isoindole-1,3-diimine
CID 135575783
1-fluoro-4-methylbenzene;methane
CID 158431518
chromium;1-fluoro-4-methylbenzene
CID 139244082
ethane;1-methyl-4-[4-(nitrosomethyl)phenyl]benzene
CID 145467953
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
The IUPAC name of 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine (CID 135735929) is 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
The canonical SMILES for 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine is CC1=C(c2ccc(F)cc2)S(=O)(=O)N/C1=N\Cc1ccc(C)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
The InChIKey is OISNQNKIKHBUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12-3-5-14(6-4-12)11-20-18-13(2)17(24(22,23)21-18)15-7-9-16(19)10-8-15/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine?
5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine has a molecular weight of 344.41 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-methyl-N-[(4-methylphenyl)methyl]-1,1-dioxo-1,2-thiazol-3-imine is sourced from PubChem (CID 135735929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).