6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one

C11H9N3O2S — CID 28913193

IUPAC6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C11H9N3O2S/c1-14-8-3-2-6(4-9(8)16-11(14)15)7-5-17-10(12)13-7/h2-5H,1H3,(H2,12,13)
InChIKeyKORQNSIEDNCXMW-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.84
Rot. Bonds1

About 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one

6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 28913193) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID28913193
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(-c3csc(N)n3)ccc21
InChIInChI=1S/C11H9N3O2S/c1-14-8-3-2-6(4-9(8)16-11(14)15)7-5-17-10(12)13-7/h2-5H,1H3,(H2,12,13)
InChIKeyKORQNSIEDNCXMW-UHFFFAOYSA-N
XLogP1.84
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one (CID 28913193) is 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(-c3csc(N)n3)ccc21.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is KORQNSIEDNCXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-14-8-3-2-6(4-9(8)16-11(14)15)7-5-17-10(12)13-7/h2-5H,1H3,(H2,12,13).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one?
6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 247.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 28913193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).