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

C19H24F2N4O2S — CID 11618423

IUPACN-(5-tert-butyl-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(C(C)(C)C)s1
InChIInChI=1S/C19H24F2N4O2S/c1-5-6-14(16(27)23-18-25-24-17(28-18)19(2,3)4)22-15(26)9-11-7-12(20)10-13(21)8-11/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,23,25,27)
InChIKeySBZZBFPGKPFKKA-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.58
Rot. Bonds7

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

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (PubChem CID 11618423) has the molecular formula C19H24F2N4O2S and a molecular weight of 410.49 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide
PubChem CID11618423
Molecular FormulaC19H24F2N4O2S
Molecular Weight410.49 g/mol
Exact Mass410.16
IUPAC NameN-(5-tert-butyl-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(C(C)(C)C)s1
InChIInChI=1S/C19H24F2N4O2S/c1-5-6-14(16(27)23-18-25-24-17(28-18)19(2,3)4)22-15(26)9-11-7-12(20)10-13(21)8-11/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,23,25,27)
InChIKeySBZZBFPGKPFKKA-UHFFFAOYSA-N
XLogP3.58
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide (CID 11618423) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The canonical SMILES for N-(5-tert-butyl-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(C(C)(C)C)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
The InChIKey is SBZZBFPGKPFKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O2S/c1-5-6-14(16(27)23-18-25-24-17(28-18)19(2,3)4)22-15(26)9-11-7-12(20)10-13(21)8-11/h7-8,10,14H,5-6,9H2,1-4H3,(H,22,26)(H,23,25,27).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide has a molecular weight of 410.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[[2-(3,5-difluorophenyl)acetyl]amino]pentanamide is sourced from PubChem (CID 11618423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).