2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

C19H24F2N4O3S — CID 11676243

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)CCO)s1
InChIInChI=1S/C19H24F2N4O3S/c1-4-14(22-15(27)9-11-7-12(20)10-13(21)8-11)16(28)23-18-25-24-17(29-18)19(2,3)5-6-26/h7-8,10,14,26H,4-6,9H2,1-3H3,(H,22,27)(H,23,25,28)
InChIKeyOXGUQICNPZAIBS-UHFFFAOYSA-N
MW426.49 g/mol
LogP2.55
Rot. Bonds9

About 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 11676243) has the molecular formula C19H24F2N4O3S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID11676243
Molecular FormulaC19H24F2N4O3S
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)CCO)s1
InChIInChI=1S/C19H24F2N4O3S/c1-4-14(22-15(27)9-11-7-12(20)10-13(21)8-11)16(28)23-18-25-24-17(29-18)19(2,3)5-6-26/h7-8,10,14,26H,4-6,9H2,1-3H3,(H,22,27)(H,23,25,28)
InChIKeyOXGUQICNPZAIBS-UHFFFAOYSA-N
XLogP2.55
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide (CID 11676243) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is CCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C(C)(C)CCO)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is OXGUQICNPZAIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O3S/c1-4-14(22-15(27)9-11-7-12(20)10-13(21)8-11)16(28)23-18-25-24-17(29-18)19(2,3)5-6-26/h7-8,10,14,26H,4-6,9H2,1-3H3,(H,22,27)(H,23,25,28).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 426.49 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[5-(4-hydroxy-2-methylbutan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 11676243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).