N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine

C25H23FN2OS — CID 2373708

IUPACN-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine
SMILESCOc1ccccc1Cn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1C
InChIInChI=1S/C25H23FN2OS/c1-17-7-6-9-22(18(17)2)27-25-28(15-20-8-4-5-10-24(20)29-3)23(16-30-25)19-11-13-21(26)14-12-19/h4-14,16H,15H2,1-3H3/b27-25-
InChIKeyVOODRDDKCXELAZ-RFBIWTDZSA-N
MW418.54 g/mol
LogP6.26
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine

N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine (PubChem CID 2373708) has the molecular formula C25H23FN2OS and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine
PubChem CID2373708
Molecular FormulaC25H23FN2OS
Molecular Weight418.54 g/mol
Exact Mass418.15
IUPAC NameN-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine
SMILESCOc1ccccc1Cn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1C
InChIInChI=1S/C25H23FN2OS/c1-17-7-6-9-22(18(17)2)27-25-28(15-20-8-4-5-10-24(20)29-3)23(16-30-25)19-11-13-21(26)14-12-19/h4-14,16H,15H2,1-3H3/b27-25-
InChIKeyVOODRDDKCXELAZ-RFBIWTDZSA-N
XLogP6.26
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine (CID 2373708) is N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine is COc1ccccc1Cn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
The InChIKey is VOODRDDKCXELAZ-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H23FN2OS/c1-17-7-6-9-22(18(17)2)27-25-28(15-20-8-4-5-10-24(20)29-3)23(16-30-25)19-11-13-21(26)14-12-19/h4-14,16H,15H2,1-3H3/b27-25-.
What are the key properties of N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine?
N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine has a molecular weight of 418.54 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-imine is sourced from PubChem (CID 2373708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).