5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide

C11H11F2N7OS — CID 167939190

IUPAC5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide
SMILES[N-]=[N+]=NCC(F)(F)CCC(=O)Nc1cnn(-c2nccs2)c1
InChIInChI=1S/C11H11F2N7OS/c12-11(13,7-16-19-14)2-1-9(21)18-8-5-17-20(6-8)10-15-3-4-22-10/h3-6H,1-2,7H2,(H,18,21)
InChIKeyMNHQDLAXOIMFEG-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.99
Rot. Bonds7

About 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide

5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide (PubChem CID 167939190) has the molecular formula C11H11F2N7OS and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide.

Molecular Properties

Compound Name5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide
PubChem CID167939190
Molecular FormulaC11H11F2N7OS
Molecular Weight327.32 g/mol
Exact Mass327.07
IUPAC Name5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide
SMILES[N-]=[N+]=NCC(F)(F)CCC(=O)Nc1cnn(-c2nccs2)c1
InChIInChI=1S/C11H11F2N7OS/c12-11(13,7-16-19-14)2-1-9(21)18-8-5-17-20(6-8)10-15-3-4-22-10/h3-6H,1-2,7H2,(H,18,21)
InChIKeyMNHQDLAXOIMFEG-UHFFFAOYSA-N
XLogP2.99
TPSA108.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide?
The IUPAC name of 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide (CID 167939190) is 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide.
What is the SMILES notation for 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide?
The canonical SMILES for 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide is [N-]=[N+]=NCC(F)(F)CCC(=O)Nc1cnn(-c2nccs2)c1.
What is the InChIKey of 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide?
The InChIKey is MNHQDLAXOIMFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N7OS/c12-11(13,7-16-19-14)2-1-9(21)18-8-5-17-20(6-8)10-15-3-4-22-10/h3-6H,1-2,7H2,(H,18,21).
What are the key properties of 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide?
5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide has a molecular weight of 327.32 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-4,4-difluoro-N-[1-(1,3-thiazol-2-yl)pyrazol-4-yl]pentanamide is sourced from PubChem (CID 167939190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).