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

C20H16F2N4S — CID 166633296

IUPAC4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(F)c1
InChIInChI=1S/C20H16F2N4S/c1-12-3-5-17(15(21)7-12)24-20-25-18(10-27-20)14-4-6-19(16(22)8-14)26-9-13(2)23-11-26/h3-11H,1-2H3,(H,24,25)
InChIKeyHGGHTWJCTYRMCT-UHFFFAOYSA-N
MW382.44 g/mol
LogP5.63
Rot. Bonds4

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

4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 166633296) has the molecular formula C20H16F2N4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
PubChem CID166633296
Molecular FormulaC20H16F2N4S
Molecular Weight382.44 g/mol
Exact Mass382.11
IUPAC Name4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(F)c1
InChIInChI=1S/C20H16F2N4S/c1-12-3-5-17(15(21)7-12)24-20-25-18(10-27-20)14-4-6-19(16(22)8-14)26-9-13(2)23-11-26/h3-11H,1-2H3,(H,24,25)
InChIKeyHGGHTWJCTYRMCT-UHFFFAOYSA-N
XLogP5.63
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166626941
N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166635065
N-(2,6-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166634637
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
N-(2-fluoro-4-methylphenyl)-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-amine
CID 66856034
1-N,1-N-diethyl-4-methyl-3-N-[4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910659
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
3-N-ethyl-3-N,4,6-trimethyl-1-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]benzene-1,3-diamine
CID 58910975
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910643
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine (CID 166633296) is 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(F)c1.
What is the InChIKey of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
The InChIKey is HGGHTWJCTYRMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4S/c1-12-3-5-17(15(21)7-12)24-20-25-18(10-27-20)14-4-6-19(16(22)8-14)26-9-13(2)23-11-26/h3-11H,1-2H3,(H,24,25).
What are the key properties of 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine?
4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 382.44 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 166633296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).