6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one

C15H15N3O2S — CID 20983955

IUPAC6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one
SMILESC=CCN1C(=O)COc2ccc(-c3nc(N)sc3C)cc21
InChIInChI=1S/C15H15N3O2S/c1-3-6-18-11-7-10(14-9(2)21-15(16)17-14)4-5-12(11)20-8-13(18)19/h3-5,7H,1,6,8H2,2H3,(H2,16,17)
InChIKeyRGYOWLBELUKQTO-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.61
Rot. Bonds3

About 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one

6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one (PubChem CID 20983955) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one
PubChem CID20983955
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one
SMILESC=CCN1C(=O)COc2ccc(-c3nc(N)sc3C)cc21
InChIInChI=1S/C15H15N3O2S/c1-3-6-18-11-7-10(14-9(2)21-15(16)17-14)4-5-12(11)20-8-13(18)19/h3-5,7H,1,6,8H2,2H3,(H2,16,17)
InChIKeyRGYOWLBELUKQTO-UHFFFAOYSA-N
XLogP2.61
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one (CID 20983955) is 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one is C=CCN1C(=O)COc2ccc(-c3nc(N)sc3C)cc21.
What is the InChIKey of 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one?
The InChIKey is RGYOWLBELUKQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-3-6-18-11-7-10(14-9(2)21-15(16)17-14)4-5-12(11)20-8-13(18)19/h3-5,7H,1,6,8H2,2H3,(H2,16,17).
What are the key properties of 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one?
6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one has a molecular weight of 301.37 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-methyl-1,3-thiazol-4-yl)-4-prop-2-enyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 20983955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).