4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide

C15H16FN5O3S — CID 58601051

IUPAC4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(C3=NOC(n4ccnn4)C3)cc2F)CC1
InChIInChI=1S/C15H16FN5O3S/c16-12-9-11(13-10-15(24-18-13)21-4-3-17-19-21)1-2-14(12)20-5-7-25(22,23)8-6-20/h1-4,9,15H,5-8,10H2
InChIKeyOAFCPYCQVKCJSV-UHFFFAOYSA-N
MW365.39 g/mol
LogP0.98
Rot. Bonds3

About 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide

4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 58601051) has the molecular formula C15H16FN5O3S and a molecular weight of 365.39 g/mol. Its IUPAC name is 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide
PubChem CID58601051
Molecular FormulaC15H16FN5O3S
Molecular Weight365.39 g/mol
Exact Mass365.10
IUPAC Name4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(c2ccc(C3=NOC(n4ccnn4)C3)cc2F)CC1
InChIInChI=1S/C15H16FN5O3S/c16-12-9-11(13-10-15(24-18-13)21-4-3-17-19-21)1-2-14(12)20-5-7-25(22,23)8-6-20/h1-4,9,15H,5-8,10H2
InChIKeyOAFCPYCQVKCJSV-UHFFFAOYSA-N
XLogP0.98
TPSA89.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide (CID 58601051) is 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(c2ccc(C3=NOC(n4ccnn4)C3)cc2F)CC1.
What is the InChIKey of 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is OAFCPYCQVKCJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3S/c16-12-9-11(13-10-15(24-18-13)21-4-3-17-19-21)1-2-14(12)20-5-7-25(22,23)8-6-20/h1-4,9,15H,5-8,10H2.
What are the key properties of 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide?
4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 365.39 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-[5-(triazol-1-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 58601051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).