6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one

C13H13N3O2S — CID 82489147

IUPAC6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(-c3ncsc3N)cc2N(C)C1=O
InChIInChI=1S/C13H13N3O2S/c1-7-13(17)16(2)9-5-8(3-4-10(9)18-7)11-12(14)19-6-15-11/h3-7H,14H2,1-2H3
InChIKeyCMWLBUHJJOXYJO-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.14
Rot. Bonds1

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

6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one (PubChem CID 82489147) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
PubChem CID82489147
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Name6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one
SMILESCC1Oc2ccc(-c3ncsc3N)cc2N(C)C1=O
InChIInChI=1S/C13H13N3O2S/c1-7-13(17)16(2)9-5-8(3-4-10(9)18-7)11-12(14)19-6-15-11/h3-7H,14H2,1-2H3
InChIKeyCMWLBUHJJOXYJO-UHFFFAOYSA-N
XLogP2.14
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one (CID 82489147) is 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one is CC1Oc2ccc(-c3ncsc3N)cc2N(C)C1=O.
What is the InChIKey of 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
The InChIKey is CMWLBUHJJOXYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-7-13(17)16(2)9-5-8(3-4-10(9)18-7)11-12(14)19-6-15-11/h3-7H,14H2,1-2H3.
What are the key properties of 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one?
6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one has a molecular weight of 275.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1,3-thiazol-4-yl)-2,4-dimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82489147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).