4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide

C20H19N3O3S — CID 75768290

IUPAC4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc3nc(C)sc3c2)Oc2ccccc21
InChIInChI=1S/C20H19N3O3S/c1-4-23-15-7-5-6-8-16(15)26-20(3,19(23)25)18(24)22-13-9-10-14-17(11-13)27-12(2)21-14/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyDBDVXAMFNFVVOR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.75
Rot. Bonds3

About 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide

4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75768290) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75768290
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc3nc(C)sc3c2)Oc2ccccc21
InChIInChI=1S/C20H19N3O3S/c1-4-23-15-7-5-6-8-16(15)26-20(3,19(23)25)18(24)22-13-9-10-14-17(11-13)27-12(2)21-14/h5-11H,4H2,1-3H3,(H,22,24)
InChIKeyDBDVXAMFNFVVOR-UHFFFAOYSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethyl-1,2-thiazol-4-yl)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768433
2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767805
4-ethyl-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769832
(3R)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 8569714
(3R)-N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7096285
N-butyl-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768303
methyl 4-[(4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 75769453
4-ethyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769822
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
N-[2-(4-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768405
4-benzyl-2-methyl-3-oxo-N-pyridin-3-yl-1,4-benzoxazine-2-carboxamide
CID 71945902
(2R)-4-ethyl-N-(4-methoxyphenyl)-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102532

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75768290) is 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2ccc3nc(C)sc3c2)Oc2ccccc21.
What is the InChIKey of 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is DBDVXAMFNFVVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-4-23-15-7-5-6-8-16(15)26-20(3,19(23)25)18(24)22-13-9-10-14-17(11-13)27-12(2)21-14/h5-11H,4H2,1-3H3,(H,22,24).
What are the key properties of 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide?
4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).