N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

C20H18FN3S — CID 15988950

IUPACN-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C20H18FN3S/c1-3-14-6-4-5-13(2)17(14)22-19-18(15-7-9-16(21)10-8-15)23-20-24(19)11-12-25-20/h4-12,22H,3H2,1-2H3
InChIKeyWTZBJWYCSOGZHY-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.82
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine

N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (PubChem CID 15988950) has the molecular formula C20H18FN3S and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
PubChem CID15988950
Molecular FormulaC20H18FN3S
Molecular Weight351.45 g/mol
Exact Mass351.12
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine
SMILESCCc1cccc(C)c1Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C20H18FN3S/c1-3-14-6-4-5-13(2)17(14)22-19-18(15-7-9-16(21)10-8-15)23-20-24(19)11-12-25-20/h4-12,22H,3H2,1-2H3
InChIKeyWTZBJWYCSOGZHY-UHFFFAOYSA-N
XLogP5.82
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine (CID 15988950) is N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is CCc1cccc(C)c1Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
The InChIKey is WTZBJWYCSOGZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3S/c1-3-14-6-4-5-13(2)17(14)22-19-18(15-7-9-16(21)10-8-15)23-20-24(19)11-12-25-20/h4-12,22H,3H2,1-2H3.
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine?
N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine has a molecular weight of 351.45 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-amine is sourced from PubChem (CID 15988950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).