5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one

C18H14N2O2S — CID 11709566

IUPAC5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESCc1c(-c2csc(-c3ccccc3)n2)ccc2c1NC(=O)CO2
InChIInChI=1S/C18H14N2O2S/c1-11-13(7-8-15-17(11)20-16(21)9-22-15)14-10-23-18(19-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyJYVIOWQPOWMMRE-UHFFFAOYSA-N
MW322.39 g/mol
LogP4.12
Rot. Bonds2

About 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one

5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 11709566) has the molecular formula C18H14N2O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
PubChem CID11709566
Molecular FormulaC18H14N2O2S
Molecular Weight322.39 g/mol
Exact Mass322.08
IUPAC Name5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
SMILESCc1c(-c2csc(-c3ccccc3)n2)ccc2c1NC(=O)CO2
InChIInChI=1S/C18H14N2O2S/c1-11-13(7-8-15-17(11)20-16(21)9-22-15)14-10-23-18(19-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyJYVIOWQPOWMMRE-UHFFFAOYSA-N
XLogP4.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one (CID 11709566) is 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one is Cc1c(-c2csc(-c3ccccc3)n2)ccc2c1NC(=O)CO2.
What is the InChIKey of 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is JYVIOWQPOWMMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2S/c1-11-13(7-8-15-17(11)20-16(21)9-22-15)14-10-23-18(19-14)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one?
5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 322.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(2-phenyl-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11709566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).