N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine

C20H18F2N2O2S — CID 23763008

IUPACN-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(OC)cc2OC)cs/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N2O2S/c1-4-9-24-18(15-7-6-14(25-2)11-19(15)26-3)12-27-20(24)23-17-8-5-13(21)10-16(17)22/h4-8,10-12H,1,9H2,2-3H3/b23-20-
InChIKeyMLGIVYHPWIONJS-ATJXCDBQSA-N
MW388.44 g/mol
LogP4.93
Rot. Bonds6

About N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine

N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (PubChem CID 23763008) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
PubChem CID23763008
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC NameN-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2ccc(OC)cc2OC)cs/c1=N\c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N2O2S/c1-4-9-24-18(15-7-6-14(25-2)11-19(15)26-3)12-27-20(24)23-17-8-5-13(21)10-16(17)22/h4-8,10-12H,1,9H2,2-3H3/b23-20-
InChIKeyMLGIVYHPWIONJS-ATJXCDBQSA-N
XLogP4.93
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine
CID 23995723
N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)-1,3-thiazol-2-imine
CID 23735822
2-[[2-(2,4-difluorophenyl)imino-4-(2,5-dimethoxyphenyl)-1,3-thiazol-3-yl]iminomethyl]-4-methoxyphenol
CID 135709905
N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-3-(1H-pyrrol-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 135759349
N-(2,4-difluorophenyl)-3-(3-methylbutyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23988621
6-[2-(2,4-difluorophenyl)imino-3-prop-2-enyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 23734261
(E)-3-[(E)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-N-(2,4-difluorophenyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-imine
CID 6906394
3-butan-2-yl-N-(2,4-difluorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-imine
CID 23854073
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098
3-(2-methoxyethyl)-4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-imine
CID 8715499
5-(2,4-dimethoxyphenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62224887
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine (CID 23763008) is N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is C=CCn1c(-c2ccc(OC)cc2OC)cs/c1=N\c1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
The InChIKey is MLGIVYHPWIONJS-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-4-9-24-18(15-7-6-14(25-2)11-19(15)26-3)12-27-20(24)23-17-8-5-13(21)10-16(17)22/h4-8,10-12H,1,9H2,2-3H3/b23-20-.
What are the key properties of N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine?
N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine has a molecular weight of 388.44 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2,4-dimethoxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23763008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).