4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine

C24H25FN4OS — CID 87855372

IUPAC4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(C)c(Nc2nc(-c3ccc(-c4ncc(C)[nH]4)c(F)c3)cs2)cc1C(C)C
InChIInChI=1S/C24H25FN4OS/c1-13(2)18-10-20(14(3)8-22(18)30-5)28-24-29-21(12-31-24)16-6-7-17(19(25)9-16)23-26-11-15(4)27-23/h6-13H,1-5H3,(H,26,27)(H,28,29)
InChIKeyZJXVGAHIBPHDGO-UHFFFAOYSA-N
MW436.56 g/mol
LogP6.83
Rot. Bonds6

About 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine

4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 87855372) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
PubChem CID87855372
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC Name4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(C)c(Nc2nc(-c3ccc(-c4ncc(C)[nH]4)c(F)c3)cs2)cc1C(C)C
InChIInChI=1S/C24H25FN4OS/c1-13(2)18-10-20(14(3)8-22(18)30-5)28-24-29-21(12-31-24)16-6-7-17(19(25)9-16)23-26-11-15(4)27-23/h6-13H,1-5H3,(H,26,27)(H,28,29)
InChIKeyZJXVGAHIBPHDGO-UHFFFAOYSA-N
XLogP6.83
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-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

2-(1H-imidazol-5-ylmethyl)-4-(2-methoxyphenyl)-1,3-thiazole
CID 14742546
4-(3-methoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742534
4-(1-methoxynaphthalen-2-yl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742541
2-(1H-imidazol-2-yl)-4-(2''-(trifluoromethoxy)biphenyl-3-yl)thiazole
CID 135537663
US10202370, Example 026
CID 90466229
US10202370, Example 047
CID 90466812
2-benzyl-1-[4-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-2-yl]guanidine;hydrochloride
CID 49860960
US10202370, Example 063
CID 90467117
US10202370, Example 126
CID 121363132
N-[[5-[2-[[N'-[2-(2-methoxyphenyl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]-1H-imidazol-2-yl]methyl]acetamide
CID 11004203
2-{[2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazol-4-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 2135783
4-{[5-(2-fluoro-6-methoxyphenyl)-4-phenyl-1H-imidazol-1-yl]methyl}-1,3-thiazol-2-amine
CID 50972717

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine (CID 87855372) is 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine is COc1cc(C)c(Nc2nc(-c3ccc(-c4ncc(C)[nH]4)c(F)c3)cs2)cc1C(C)C.
What is the InChIKey of 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is ZJXVGAHIBPHDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-13(2)18-10-20(14(3)8-22(18)30-5)28-24-29-21(12-31-24)16-6-7-17(19(25)9-16)23-26-11-15(4)27-23/h6-13H,1-5H3,(H,26,27)(H,28,29).
What are the key properties of 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine?
4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 436.56 g/mol, XLogP of 6.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(5-methyl-1H-imidazol-2-yl)phenyl]-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87855372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).