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

C22H15Cl2FN2S — CID 6710858

IUPACN-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H15Cl2FN2S/c1-13-21(27-22(28-13)26-18-11-16(23)10-17(24)12-18)15-8-6-14(7-9-15)19-4-2-3-5-20(19)25/h2-12H,1H3,(H,26,27)
InChIKeyGHICMMBLFRWPDK-UHFFFAOYSA-N
MW429.35 g/mol
LogP7.98
Rot. Bonds4

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

N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 6710858) has the molecular formula C22H15Cl2FN2S and a molecular weight of 429.35 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID6710858
Molecular FormulaC22H15Cl2FN2S
Molecular Weight429.35 g/mol
Exact Mass428.03
IUPAC NameN-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C22H15Cl2FN2S/c1-13-21(27-22(28-13)26-18-11-16(23)10-17(24)12-18)15-8-6-14(7-9-15)19-4-2-3-5-20(19)25/h2-12H,1H3,(H,26,27)
InChIKeyGHICMMBLFRWPDK-UHFFFAOYSA-N
XLogP7.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine (CID 6710858) is N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine is Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is GHICMMBLFRWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN2S/c1-13-21(27-22(28-13)26-18-11-16(23)10-17(24)12-18)15-8-6-14(7-9-15)19-4-2-3-5-20(19)25/h2-12H,1H3,(H,26,27).
What are the key properties of N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine?
N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 429.35 g/mol, XLogP of 7.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 6710858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).