2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole

C13H13FN4OS — CID 134395495

IUPAC2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole
SMILESCO[C@H](c1ccc(-c2nccs2)cc1)C(CF)N=[N+]=[N-]
InChIInChI=1S/C13H13FN4OS/c1-19-12(11(8-14)17-18-15)9-2-4-10(5-3-9)13-16-6-7-20-13/h2-7,11-12H,8H2,1H3/t11?,12-/m1/s1
InChIKeyHOCNEFWZLMFAIM-PIJUOVFKSA-N
MW292.34 g/mol
LogP4.15
Rot. Bonds6

About 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole

2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole (PubChem CID 134395495) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole
PubChem CID134395495
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC Name2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole
SMILESCO[C@H](c1ccc(-c2nccs2)cc1)C(CF)N=[N+]=[N-]
InChIInChI=1S/C13H13FN4OS/c1-19-12(11(8-14)17-18-15)9-2-4-10(5-3-9)13-16-6-7-20-13/h2-7,11-12H,8H2,1H3/t11?,12-/m1/s1
InChIKeyHOCNEFWZLMFAIM-PIJUOVFKSA-N
XLogP4.15
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole?
The IUPAC name of 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole (CID 134395495) is 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole is CO[C@H](c1ccc(-c2nccs2)cc1)C(CF)N=[N+]=[N-].
What is the InChIKey of 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole?
The InChIKey is HOCNEFWZLMFAIM-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H13FN4OS/c1-19-12(11(8-14)17-18-15)9-2-4-10(5-3-9)13-16-6-7-20-13/h2-7,11-12H,8H2,1H3/t11?,12-/m1/s1.
What are the key properties of 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole?
2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole has a molecular weight of 292.34 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-2-azido-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 134395495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).