4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine

C19H17Cl2FN2OS — CID 5182240

IUPAC4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine
SMILESCOCC(C)n1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H17Cl2FN2OS/c1-12(10-25-2)24-18(16-8-3-13(20)9-17(16)21)11-26-19(24)23-15-6-4-14(22)5-7-15/h3-9,11-12H,10H2,1-2H3/b23-19-
InChIKeyFPAFYFCPWRAXIG-NMWGTECJSA-N
MW411.33 g/mol
LogP6.10
Rot. Bonds5

About 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine

4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine (PubChem CID 5182240) has the molecular formula C19H17Cl2FN2OS and a molecular weight of 411.33 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine
PubChem CID5182240
Molecular FormulaC19H17Cl2FN2OS
Molecular Weight411.33 g/mol
Exact Mass410.04
IUPAC Name4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine
SMILESCOCC(C)n1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(F)cc1
InChIInChI=1S/C19H17Cl2FN2OS/c1-12(10-25-2)24-18(16-8-3-13(20)9-17(16)21)11-26-19(24)23-15-6-4-14(22)5-7-15/h3-9,11-12H,10H2,1-2H3/b23-19-
InChIKeyFPAFYFCPWRAXIG-NMWGTECJSA-N
XLogP6.10
TPSA26.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 56.10
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 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine (CID 5182240) is 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine is COCC(C)n1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(F)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine?
The InChIKey is FPAFYFCPWRAXIG-NMWGTECJSA-N. The full InChI is InChI=1S/C19H17Cl2FN2OS/c1-12(10-25-2)24-18(16-8-3-13(20)9-17(16)21)11-26-19(24)23-15-6-4-14(22)5-7-15/h3-9,11-12H,10H2,1-2H3/b23-19-.
What are the key properties of 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine?
4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine has a molecular weight of 411.33 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-3-(1-methoxypropan-2-yl)-1,3-thiazol-2-imine is sourced from PubChem (CID 5182240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).