2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide

C19H20F2N4OS — CID 166269674

IUPAC2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1nc(CNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c(C)[nH]1
InChIInChI=1S/C19H20F2N4OS/c1-10-15(24-11(2)23-10)8-22-18(26)19(3,4)16-9-27-17(25-16)13-7-12(20)5-6-14(13)21/h5-7,9H,8H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyOOOZKACBUNICEK-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.02
Rot. Bonds5

About 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide

2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 166269674) has the molecular formula C19H20F2N4OS and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide
PubChem CID166269674
Molecular FormulaC19H20F2N4OS
Molecular Weight390.46 g/mol
Exact Mass390.13
IUPAC Name2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1nc(CNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c(C)[nH]1
InChIInChI=1S/C19H20F2N4OS/c1-10-15(24-11(2)23-10)8-22-18(26)19(3,4)16-9-27-17(25-16)13-7-12(20)5-6-14(13)21/h5-7,9H,8H2,1-4H3,(H,22,26)(H,23,24)
InChIKeyOOOZKACBUNICEK-UHFFFAOYSA-N
XLogP4.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide (CID 166269674) is 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide is Cc1nc(CNC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)c(C)[nH]1.
What is the InChIKey of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is OOOZKACBUNICEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4OS/c1-10-15(24-11(2)23-10)8-22-18(26)19(3,4)16-9-27-17(25-16)13-7-12(20)5-6-14(13)21/h5-7,9H,8H2,1-4H3,(H,22,26)(H,23,24).
What are the key properties of 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide?
2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide has a molecular weight of 390.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenyl)-1,3-thiazol-4-yl]-N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 166269674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).