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

C21H19FN4S — CID 166626941

IUPACN-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(C)c1
InChIInChI=1S/C21H19FN4S/c1-13-4-6-18(14(2)8-13)24-21-25-19(11-27-21)16-5-7-20(17(22)9-16)26-10-15(3)23-12-26/h4-12H,1-3H3,(H,24,25)
InChIKeyDKDWEWZMYNFZIC-UHFFFAOYSA-N
MW378.48 g/mol
LogP5.80
Rot. Bonds4

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

N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (PubChem CID 166626941) has the molecular formula C21H19FN4S and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
PubChem CID166626941
Molecular FormulaC21H19FN4S
Molecular Weight378.48 g/mol
Exact Mass378.13
IUPAC NameN-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(C)c1
InChIInChI=1S/C21H19FN4S/c1-13-4-6-18(14(2)8-13)24-21-25-19(11-27-21)16-5-7-20(17(22)9-16)26-10-15(3)23-12-26/h4-12H,1-3H3,(H,24,25)
InChIKeyDKDWEWZMYNFZIC-UHFFFAOYSA-N
XLogP5.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-fluoro-4-methylphenyl)-1,3-thiazol-2-amine
CID 166633296
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
N-(2,4-dimethylphenyl)-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2132345
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-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674
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
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910535
N-(2-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 157269328
1-N,4-dimethyl-3-N-[4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-yl]-1-N-propylbenzene-1,3-diamine
CID 58910697
4-(3-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624681
4-[4-(4-methylimidazol-1-yl)phenyl]-N-(2,4,6-trichlorophenyl)-1,3-thiazol-2-amine
CID 58910643

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine (CID 166626941) is N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc(-c3ccc(-n4cnc(C)c4)c(F)c3)cs2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is DKDWEWZMYNFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4S/c1-13-4-6-18(14(2)8-13)24-21-25-19(11-27-21)16-5-7-20(17(22)9-16)26-10-15(3)23-12-26/h4-12H,1-3H3,(H,24,25).
What are the key properties of N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine?
N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 378.48 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 166626941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).