N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C17H14Cl3FN2S — CID 59223264

IUPACN-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(Cl)cc(CC(NC2=NCCS2)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H14Cl3FN2S/c18-11-6-10(7-12(21)9-11)8-15(23-17-22-4-5-24-17)13-2-1-3-14(19)16(13)20/h1-3,6-7,9,15H,4-5,8H2,(H,22,23)
InChIKeyDICIXQJQBYVDFH-UHFFFAOYSA-N
MW403.74 g/mol
LogP5.76
Rot. Bonds4

About N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223264) has the molecular formula C17H14Cl3FN2S and a molecular weight of 403.74 g/mol. Its IUPAC name is N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223264
Molecular FormulaC17H14Cl3FN2S
Molecular Weight403.74 g/mol
Exact Mass401.99
IUPAC NameN-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESFc1cc(Cl)cc(CC(NC2=NCCS2)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C17H14Cl3FN2S/c18-11-6-10(7-12(21)9-11)8-15(23-17-22-4-5-24-17)13-2-1-3-14(19)16(13)20/h1-3,6-7,9,15H,4-5,8H2,(H,22,23)
InChIKeyDICIXQJQBYVDFH-UHFFFAOYSA-N
XLogP5.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.74
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223264) is N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Fc1cc(Cl)cc(CC(NC2=NCCS2)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DICIXQJQBYVDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3FN2S/c18-11-6-10(7-12(21)9-11)8-15(23-17-22-4-5-24-17)13-2-1-3-14(19)16(13)20/h1-3,6-7,9,15H,4-5,8H2,(H,22,23).
What are the key properties of N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 403.74 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-5-fluorophenyl)-1-(2,3-dichlorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).