(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

C16H11FN4O2S — CID 167961691

IUPAC(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cnccn2)n1)N1CCOc2cccc(F)c21
InChIInChI=1S/C16H11FN4O2S/c17-10-2-1-3-13-14(10)21(6-7-23-13)16(22)12-9-24-15(20-12)11-8-18-4-5-19-11/h1-5,8-9H,6-7H2
InChIKeyARGYUKYBOWEFFP-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.78
Rot. Bonds2

About (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 167961691) has the molecular formula C16H11FN4O2S and a molecular weight of 342.36 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID167961691
Molecular FormulaC16H11FN4O2S
Molecular Weight342.36 g/mol
Exact Mass342.06
IUPAC Name(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cnccn2)n1)N1CCOc2cccc(F)c21
InChIInChI=1S/C16H11FN4O2S/c17-10-2-1-3-13-14(10)21(6-7-23-13)16(22)12-9-24-15(20-12)11-8-18-4-5-19-11/h1-5,8-9H,6-7H2
InChIKeyARGYUKYBOWEFFP-UHFFFAOYSA-N
XLogP2.78
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone (CID 167961691) is (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cnccn2)n1)N1CCOc2cccc(F)c21.
What is the InChIKey of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is ARGYUKYBOWEFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2S/c17-10-2-1-3-13-14(10)21(6-7-23-13)16(22)12-9-24-15(20-12)11-8-18-4-5-19-11/h1-5,8-9H,6-7H2.
What are the key properties of (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone?
(5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 342.36 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 167961691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).