2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide

C13H10ClN3O3S — CID 5311779

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nccs1
InChIInChI=1S/C13H10ClN3O3S/c14-8-1-2-10-9(5-8)17(12(19)7-20-10)6-11(18)16-13-15-3-4-21-13/h1-5H,6-7H2,(H,15,16,18)
InChIKeyKFBOBZVWGFKIDM-UHFFFAOYSA-N
MW323.76 g/mol
LogP2.16
Rot. Bonds3

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 5311779) has the molecular formula C13H10ClN3O3S and a molecular weight of 323.76 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID5311779
Molecular FormulaC13H10ClN3O3S
Molecular Weight323.76 g/mol
Exact Mass323.01
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nccs1
InChIInChI=1S/C13H10ClN3O3S/c14-8-1-2-10-9(5-8)17(12(19)7-20-10)6-11(18)16-13-15-3-4-21-13/h1-5H,6-7H2,(H,15,16,18)
InChIKeyKFBOBZVWGFKIDM-UHFFFAOYSA-N
XLogP2.16
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 5311779) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1nccs1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KFBOBZVWGFKIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S/c14-8-1-2-10-9(5-8)17(12(19)7-20-10)6-11(18)16-13-15-3-4-21-13/h1-5H,6-7H2,(H,15,16,18).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 323.76 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5311779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).