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

C14H12ClN3O3S — CID 5306837

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)n1
InChIInChI=1S/C14H12ClN3O3S/c1-8-7-22-14(16-8)17-12(19)5-18-10-4-9(15)2-3-11(10)21-6-13(18)20/h2-4,7H,5-6H2,1H3,(H,16,17,19)
InChIKeyNYQHAXKKDCDDKI-UHFFFAOYSA-N
MW337.79 g/mol
LogP2.47
Rot. Bonds3

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

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5306837) has the molecular formula C14H12ClN3O3S and a molecular weight of 337.79 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID5306837
Molecular FormulaC14H12ClN3O3S
Molecular Weight337.79 g/mol
Exact Mass337.03
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)n1
InChIInChI=1S/C14H12ClN3O3S/c1-8-7-22-14(16-8)17-12(19)5-18-10-4-9(15)2-3-11(10)21-6-13(18)20/h2-4,7H,5-6H2,1H3,(H,16,17,19)
InChIKeyNYQHAXKKDCDDKI-UHFFFAOYSA-N
XLogP2.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 52.47
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-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 5306837) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)n1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is NYQHAXKKDCDDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S/c1-8-7-22-14(16-8)17-12(19)5-18-10-4-9(15)2-3-11(10)21-6-13(18)20/h2-4,7H,5-6H2,1H3,(H,16,17,19).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 337.79 g/mol, XLogP of 2.47, 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-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5306837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).