N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide

C23H23N3O3S — CID 39086548

IUPACN,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)COc2ccc(-c3csc(-c4ccccc4)n3)cc21
InChIInChI=1S/C23H23N3O3S/c1-3-25(4-2)21(27)13-26-19-12-17(10-11-20(19)29-14-22(26)28)18-15-30-23(24-18)16-8-6-5-7-9-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyYBVDGGXFPRIVOW-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.07
Rot. Bonds6

About N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide

N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide (PubChem CID 39086548) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
PubChem CID39086548
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC NameN,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide
SMILESCCN(CC)C(=O)CN1C(=O)COc2ccc(-c3csc(-c4ccccc4)n3)cc21
InChIInChI=1S/C23H23N3O3S/c1-3-25(4-2)21(27)13-26-19-12-17(10-11-20(19)29-14-22(26)28)18-15-30-23(24-18)16-8-6-5-7-9-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyYBVDGGXFPRIVOW-UHFFFAOYSA-N
XLogP4.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695856
6-(2-benzyl-1,3-thiazol-4-yl)-4-ethyl-1,4-benzoxazin-3-one
CID 3087431
2,2-dimethyl-3-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid
CID 28898249
cyclopentyl 2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 28695963
4-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]butanoic acid
CID 28897428
N-(3-methylphenyl)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695748
4-[[2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoic acid
CID 28695753
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
2-propoxyethyl 2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetate
CID 28695956
N-(4-ethoxyphenyl)-2-[6-(2-methyl-1,3-thiazol-4-yl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 28695772
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 20995435
4-[(2R)-2,3-dihydroxypropyl]-6-(2-methyl-1,3-thiazol-4-yl)-1,4-benzoxazin-3-one
CID 28696030

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide (CID 39086548) is N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide is CCN(CC)C(=O)CN1C(=O)COc2ccc(-c3csc(-c4ccccc4)n3)cc21.
What is the InChIKey of N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide?
The InChIKey is YBVDGGXFPRIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-3-25(4-2)21(27)13-26-19-12-17(10-11-20(19)29-14-22(26)28)18-15-30-23(24-18)16-8-6-5-7-9-16/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide?
N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[3-oxo-6-(2-phenyl-1,3-thiazol-4-yl)-1,4-benzoxazin-4-yl]acetamide is sourced from PubChem (CID 39086548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).