2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one

C11H7N3O2S — CID 10586445

IUPAC2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2nccs2)nc2ccccc12
InChIInChI=1S/C11H7N3O2S/c15-9-7-3-1-2-4-8(7)13-10(16-9)14-11-12-5-6-17-11/h1-6H,(H,12,13,14)
InChIKeyUIQADKIQCPHBQD-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.39
Rot. Bonds2

About 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one

2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one (PubChem CID 10586445) has the molecular formula C11H7N3O2S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one
PubChem CID10586445
Molecular FormulaC11H7N3O2S
Molecular Weight245.26 g/mol
Exact Mass245.03
IUPAC Name2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one
SMILESO=c1oc(Nc2nccs2)nc2ccccc12
InChIInChI=1S/C11H7N3O2S/c15-9-7-3-1-2-4-8(7)13-10(16-9)14-11-12-5-6-17-11/h1-6H,(H,12,13,14)
InChIKeyUIQADKIQCPHBQD-UHFFFAOYSA-N
XLogP2.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one?
The IUPAC name of 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one (CID 10586445) is 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one is O=c1oc(Nc2nccs2)nc2ccccc12.
What is the InChIKey of 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one?
The InChIKey is UIQADKIQCPHBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2S/c15-9-7-3-1-2-4-8(7)13-10(16-9)14-11-12-5-6-17-11/h1-6H,(H,12,13,14).
What are the key properties of 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one?
2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one has a molecular weight of 245.26 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylamino)-3,1-benzoxazin-4-one is sourced from PubChem (CID 10586445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).