N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide

C21H20N4O4S — CID 46291131

IUPACN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)CN3C(=O)C(C)Oc4ccccc43)cc2s1
InChIInChI=1S/C21H20N4O4S/c1-11-8-14(9-17-19(11)24-21(30-17)22-13(3)26)23-18(27)10-25-15-6-4-5-7-16(15)29-12(2)20(25)28/h4-9,12H,10H2,1-3H3,(H,23,27)(H,22,24,26)
InChIKeyFJLZNHOYQTYZLR-UHFFFAOYSA-N
MW424.48 g/mol
LogP3.32
Rot. Bonds4

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

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 46291131) has the molecular formula C21H20N4O4S and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID46291131
Molecular FormulaC21H20N4O4S
Molecular Weight424.48 g/mol
Exact Mass424.12
IUPAC NameN-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC(=O)Nc1nc2c(C)cc(NC(=O)CN3C(=O)C(C)Oc4ccccc43)cc2s1
InChIInChI=1S/C21H20N4O4S/c1-11-8-14(9-17-19(11)24-21(30-17)22-13(3)26)23-18(27)10-25-15-6-4-5-7-16(15)29-12(2)20(25)28/h4-9,12H,10H2,1-3H3,(H,23,27)(H,22,24,26)
InChIKeyFJLZNHOYQTYZLR-UHFFFAOYSA-N
XLogP3.32
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 46291117
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-quinolin-3-ylacetamide
CID 18146549
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 33040945
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 17449384
N-(6-ethyl-2-methylpyrimidin-4-yl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 124607935
4-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoic acid
CID 23409297
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 3224977
2-anilino-5-[[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-1,3-thiazole-4-carboxamide
CID 46355387
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18132597
methyl 3-[[2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetyl]amino]benzoate
CID 41293042
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 23410212
2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-(3-methylsulfonylphenyl)acetamide
CID 41324108

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 46291131) is N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC(=O)Nc1nc2c(C)cc(NC(=O)CN3C(=O)C(C)Oc4ccccc43)cc2s1.
What is the InChIKey of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is FJLZNHOYQTYZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S/c1-11-8-14(9-17-19(11)24-21(30-17)22-13(3)26)23-18(27)10-25-15-6-4-5-7-16(15)29-12(2)20(25)28/h4-9,12H,10H2,1-3H3,(H,23,27)(H,22,24,26).
What are the key properties of N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 424.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 46291131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).