[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea

C11H10FN3O2S — CID 150341707

IUPAC[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea
SMILESNC(=O)NN1C(=O)C=CSC1c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2S/c12-8-3-1-7(2-4-8)10-15(14-11(13)17)9(16)5-6-18-10/h1-6,10H,(H3,13,14,17)
InChIKeyGRVOJWDFQYDYQS-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.50
Rot. Bonds2

About [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea

[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea (PubChem CID 150341707) has the molecular formula C11H10FN3O2S and a molecular weight of 267.29 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea
PubChem CID150341707
Molecular FormulaC11H10FN3O2S
Molecular Weight267.29 g/mol
Exact Mass267.05
IUPAC Name[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea
SMILESNC(=O)NN1C(=O)C=CSC1c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2S/c12-8-3-1-7(2-4-8)10-15(14-11(13)17)9(16)5-6-18-10/h1-6,10H,(H3,13,14,17)
InChIKeyGRVOJWDFQYDYQS-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea?
The IUPAC name of [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea (CID 150341707) is [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea.
What is the SMILES notation for [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea?
The canonical SMILES for [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea is NC(=O)NN1C(=O)C=CSC1c1ccc(F)cc1.
What is the InChIKey of [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea?
The InChIKey is GRVOJWDFQYDYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S/c12-8-3-1-7(2-4-8)10-15(14-11(13)17)9(16)5-6-18-10/h1-6,10H,(H3,13,14,17).
What are the key properties of [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea?
[2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea has a molecular weight of 267.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-4-oxo-2H-1,3-thiazin-3-yl]urea is sourced from PubChem (CID 150341707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).