N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

C17H17F3N4O3S — CID 55975651

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCc1cc(-c2csc(NC(=O)CC(O)(c3nccn3C)C(F)(F)F)n2)c(C)o1
InChIInChI=1S/C17H17F3N4O3S/c1-9-6-11(10(2)27-9)12-8-28-15(22-12)23-13(25)7-16(26,17(18,19)20)14-21-4-5-24(14)3/h4-6,8,26H,7H2,1-3H3,(H,22,23,25)
InChIKeyBWNKPGUSKYJTLM-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.53
Rot. Bonds5

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (PubChem CID 55975651) has the molecular formula C17H17F3N4O3S and a molecular weight of 414.41 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
PubChem CID55975651
Molecular FormulaC17H17F3N4O3S
Molecular Weight414.41 g/mol
Exact Mass414.10
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
SMILESCc1cc(-c2csc(NC(=O)CC(O)(c3nccn3C)C(F)(F)F)n2)c(C)o1
InChIInChI=1S/C17H17F3N4O3S/c1-9-6-11(10(2)27-9)12-8-28-15(22-12)23-13(25)7-16(26,17(18,19)20)14-21-4-5-24(14)3/h4-6,8,26H,7H2,1-3H3,(H,22,23,25)
InChIKeyBWNKPGUSKYJTLM-UHFFFAOYSA-N
XLogP3.53
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]acetamide
CID 47066446
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]butanamide
CID 78842114
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 94018177
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 134042876
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
CID 134042880
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
N-dibenzofuran-3-yl-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55693260
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 40795474
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]butanamide
CID 55924571
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 55516298
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
CID 119300524
4,4,4-trifluoro-N-(4-fluoro-2-methoxyphenyl)-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 55588733

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide (CID 55975651) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is Cc1cc(-c2csc(NC(=O)CC(O)(c3nccn3C)C(F)(F)F)n2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
The InChIKey is BWNKPGUSKYJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3S/c1-9-6-11(10(2)27-9)12-8-28-15(22-12)23-13(25)7-16(26,17(18,19)20)14-21-4-5-24(14)3/h4-6,8,26H,7H2,1-3H3,(H,22,23,25).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide has a molecular weight of 414.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide is sourced from PubChem (CID 55975651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).