N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine

C21H20Cl2N2O2S — CID 23793851

IUPACN-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3Cl)n2CC2CCCO2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-26-16-7-4-14(5-8-16)20-13-28-21(25(20)12-17-3-2-10-27-17)24-19-9-6-15(22)11-18(19)23/h4-9,11,13,17H,2-3,10,12H2,1H3/b24-21-
InChIKeyAYKPYLMMGAOTFU-FLFQWRMESA-N
MW435.38 g/mol
LogP5.94
Rot. Bonds5

About N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine

N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (PubChem CID 23793851) has the molecular formula C21H20Cl2N2O2S and a molecular weight of 435.38 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
PubChem CID23793851
Molecular FormulaC21H20Cl2N2O2S
Molecular Weight435.38 g/mol
Exact Mass434.06
IUPAC NameN-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
SMILESCOc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3Cl)n2CC2CCCO2)cc1
InChIInChI=1S/C21H20Cl2N2O2S/c1-26-16-7-4-14(5-8-16)20-13-28-21(25(20)12-17-3-2-10-27-17)24-19-9-6-15(22)11-18(19)23/h4-9,11,13,17H,2-3,10,12H2,1H3/b24-21-
InChIKeyAYKPYLMMGAOTFU-FLFQWRMESA-N
XLogP5.94
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.38
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-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-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-imine
CID 7720864
4-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 3432436
4-(6-methoxynaphthalen-2-yl)-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine
CID 23761409
N-(2-methoxyphenyl)-3-(oxolan-2-ylmethyl)-4-phenyl-1,3-thiazol-2-imine
CID 23796102
N-(2-methylphenyl)-4-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23799143
4-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23770098
4-(2-methoxyphenyl)-N-(3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine
CID 23933201
6-[2-(2-methoxyphenyl)imino-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2645606
N-(4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-imine
CID 2435615
N-(4-methylphenyl)-3-(oxolan-2-ylmethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 18813116
3-(oxolan-2-ylmethyl)-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
CID 3525288
N,N-dimethyl-4-[3-[[(2S)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazol-4-yl]benzenesulfonamide
CID 27350353

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine (CID 23793851) is N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is COc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3Cl)n2CC2CCCO2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
The InChIKey is AYKPYLMMGAOTFU-FLFQWRMESA-N. The full InChI is InChI=1S/C21H20Cl2N2O2S/c1-26-16-7-4-14(5-8-16)20-13-28-21(25(20)12-17-3-2-10-27-17)24-19-9-6-15(22)11-18(19)23/h4-9,11,13,17H,2-3,10,12H2,1H3/b24-21-.
What are the key properties of N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine?
N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine has a molecular weight of 435.38 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(4-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,3-thiazol-2-imine is sourced from PubChem (CID 23793851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).