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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Related Compounds

3-[(2Z)-2-[(4-chlorophenyl)imino]-4-(4-fluorophenyl)-1,3-thiazol-3(2H)-yl]propan-1-ol
CID 1821636
{3-[4-(4-Chlorophenyl)-2-(phenylazamethylene)(1,3-thiazolin-3-yl)]propyl}dimet hylamine
CID 1279760
2-[(2Z)-2-[(3-Chlorophenyl)imino]-4-(4-fluorophenyl)-2,3-dihydro-1,3-thiazol-3-YL]ethan-1-OL
CID 4078267
4-(2,4-dichlorophenyl)-3-(5-methylhexan-2-yl)-N-(2-methylphenyl)-1,3-thiazol-2-imine
CID 4174745
Ethyl 2-[4-(4-chlorophenyl)-2-(4-fluorophenyl)imino-1,3-thiazol-3-yl]acetate
CID 1042412
2-(4-(4-chlorophenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl)ethanol
CID 683349
(Z)-4-(4-Chlorophenyl)-3-ethyl-N-phenylthiazol-2(3H)-imine
CID 693919
2-[2-(3-Chlorophenyl)imino-4-(4-methylphenyl)-1,3-thiazol-3-yl]ethanol
CID 755123
2-[(2Z)-4-(3,4-dichlorophenyl)-2-(phenylimino)-1,3-thiazol-3(2H)-yl]ethanol
CID 1254428
N-[(2Z)-4-(4-chlorophenyl)-3-[3-(morpholin-4-yl)propyl]-1,3-thiazol-2(3H)-ylidene]aniline
CID 1537443
N-(4-(4-Chlorophenyl)-3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene)aniline
CID 1909135
N-(4-(4-Chlorophenyl)-3-pentyl-1,3-thiazol-2(3H)-ylidene)aniline
CID 3502339

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).