N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

C22H20F2N4S — CID 166626919

IUPACN-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(F)cc1C
InChIInChI=1S/C22H20F2N4S/c1-4-15-9-19(17(23)7-13(15)2)26-22-27-20(11-29-22)16-5-6-21(18(24)8-16)28-10-14(3)25-12-28/h5-12H,4H2,1-3H3,(H,26,27)
InChIKeyWOIATJIHNNFBAY-UHFFFAOYSA-N
MW410.49 g/mol
LogP6.20
Rot. Bonds5

About N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine

N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 166626919) has the molecular formula C22H20F2N4S and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID166626919
Molecular FormulaC22H20F2N4S
Molecular Weight410.49 g/mol
Exact Mass410.14
IUPAC NameN-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCCc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(F)cc1C
InChIInChI=1S/C22H20F2N4S/c1-4-15-9-19(17(23)7-13(15)2)26-22-27-20(11-29-22)16-5-6-21(18(24)8-16)28-10-14(3)25-12-28/h5-12H,4H2,1-3H3,(H,26,27)
InChIKeyWOIATJIHNNFBAY-UHFFFAOYSA-N
XLogP6.20
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 166626919) is N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is CCc1cc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(F)cc1C.
What is the InChIKey of N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is WOIATJIHNNFBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4S/c1-4-15-9-19(17(23)7-13(15)2)26-22-27-20(11-29-22)16-5-6-21(18(24)8-16)28-10-14(3)25-12-28/h5-12H,4H2,1-3H3,(H,26,27).
What are the key properties of N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 410.49 g/mol, XLogP of 6.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-fluoro-4-methylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166626919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).