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

C16H16F2N4O3S — CID 11567127

IUPAC2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C=O)s1
InChIInChI=1S/C16H16F2N4O3S/c1-2-3-12(15(25)20-16-22-21-14(8-23)26-16)19-13(24)6-9-4-10(17)7-11(18)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,19,24)(H,20,22,25)
InChIKeyQGLLDSYAKKYVDR-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.09
Rot. Bonds8

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

2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide (PubChem CID 11567127) has the molecular formula C16H16F2N4O3S and a molecular weight of 382.39 g/mol. Its IUPAC name is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide.

Molecular Properties

Compound Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide
PubChem CID11567127
Molecular FormulaC16H16F2N4O3S
Molecular Weight382.39 g/mol
Exact Mass382.09
IUPAC Name2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide
SMILESCCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C=O)s1
InChIInChI=1S/C16H16F2N4O3S/c1-2-3-12(15(25)20-16-22-21-14(8-23)26-16)19-13(24)6-9-4-10(17)7-11(18)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,19,24)(H,20,22,25)
InChIKeyQGLLDSYAKKYVDR-UHFFFAOYSA-N
XLogP2.09
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide?
The IUPAC name of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide (CID 11567127) is 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide.
What is the SMILES notation for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide?
The canonical SMILES for 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide is CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1nnc(C=O)s1.
What is the InChIKey of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide?
The InChIKey is QGLLDSYAKKYVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O3S/c1-2-3-12(15(25)20-16-22-21-14(8-23)26-16)19-13(24)6-9-4-10(17)7-11(18)5-9/h4-5,7-8,12H,2-3,6H2,1H3,(H,19,24)(H,20,22,25).
What are the key properties of 2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide?
2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-(5-formyl-1,3,4-thiadiazol-2-yl)pentanamide has a molecular weight of 382.39 g/mol, XLogP of 2.09, 8 rotatable bonds, 2 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-formyl-1,3,4-thiadiazol-2-yl)pentanamide is sourced from PubChem (CID 11567127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).