4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine

C22H23Cl2FN2S2 — CID 18967808

IUPAC4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(CSC)c1ccc(F)cc1
InChIInChI=1S/C22H23Cl2FN2S2/c1-4-11-27(20(13-28-3)15-5-8-17(25)9-6-15)22-26-21(14(2)29-22)18-10-7-16(23)12-19(18)24/h5-10,12,20H,4,11,13H2,1-3H3
InChIKeyVEQATGHFSNNQSC-UHFFFAOYSA-N
MW469.48 g/mol
LogP7.89
Rot. Bonds8

About 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine

4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 18967808) has the molecular formula C22H23Cl2FN2S2 and a molecular weight of 469.48 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID18967808
Molecular FormulaC22H23Cl2FN2S2
Molecular Weight469.48 g/mol
Exact Mass468.07
IUPAC Name4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(CSC)c1ccc(F)cc1
InChIInChI=1S/C22H23Cl2FN2S2/c1-4-11-27(20(13-28-3)15-5-8-17(25)9-6-15)22-26-21(14(2)29-22)18-10-7-16(23)12-19(18)24/h5-10,12,20H,4,11,13H2,1-3H3
InChIKeyVEQATGHFSNNQSC-UHFFFAOYSA-N
XLogP7.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.48
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 18967808) is 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(CSC)c1ccc(F)cc1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is VEQATGHFSNNQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2FN2S2/c1-4-11-27(20(13-28-3)15-5-8-17(25)9-6-15)22-26-21(14(2)29-22)18-10-7-16(23)12-19(18)24/h5-10,12,20H,4,11,13H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine?
4-(2,4-dichlorophenyl)-N-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 469.48 g/mol, XLogP of 7.89, 8 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-[1-(4-fluorophenyl)-2-methylsulfanylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 18967808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).