N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

C18H20F2N4O2S — CID 11703896

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H20F2N4O2S/c1-2-3-14(16(26)22-18-24-23-17(27-18)11-4-5-11)21-15(25)8-10-6-12(19)9-13(20)7-10/h6-7,9,11,14H,2-5,8H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyVWTGERARKLMZIQ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.16
Rot. Bonds8

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11703896) has the molecular formula C18H20F2N4O2S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11703896
Molecular FormulaC18H20F2N4O2S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C2CC2)s1
InChIInChI=1S/C18H20F2N4O2S/c1-2-3-14(16(26)22-18-24-23-17(27-18)11-4-5-11)21-15(25)8-10-6-12(19)9-13(20)7-10/h6-7,9,11,14H,2-5,8H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyVWTGERARKLMZIQ-UHFFFAOYSA-N
XLogP3.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide 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 N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11703896) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C2CC2)s1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is VWTGERARKLMZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2S/c1-2-3-14(16(26)22-18-24-23-17(27-18)11-4-5-11)21-15(25)8-10-6-12(19)9-13(20)7-10/h6-7,9,11,14H,2-5,8H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 394.45 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11703896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).