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

C19H17N3O3S — CID 75769881

IUPACN-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1nc3ccccc3s1)O2
InChIInChI=1S/C19H17N3O3S/c1-11-8-9-14-13(10-11)22(3)17(24)19(2,25-14)16(23)21-18-20-12-6-4-5-7-15(12)26-18/h4-10H,1-3H3,(H,20,21,23)
InChIKeyFGKNNHWCAYRSET-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.36
Rot. Bonds2

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

N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75769881) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75769881
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1nc3ccccc3s1)O2
InChIInChI=1S/C19H17N3O3S/c1-11-8-9-14-13(10-11)22(3)17(24)19(2,25-14)16(23)21-18-20-12-6-4-5-7-15(12)26-18/h4-10H,1-3H3,(H,20,21,23)
InChIKeyFGKNNHWCAYRSET-UHFFFAOYSA-N
XLogP3.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.36
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-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769892
N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769516
N-(3,4-dimethylphenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768603
2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
CID 75768632
methyl 1,3-dimethyl-4-[(2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]pyrazole-5-carboxylate
CID 75769565
N-(1,3-benzothiazol-2-yl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30446398
N-(1,3-benzothiazol-2-yl)-1-(3-methylphenyl)cyclopropane-1-carboxamide
CID 60564426
(2R)-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 51717932
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2,6-dimethyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 75796168
N-(1,3-benzothiazol-2-yl)-1-methylcyclohexane-1-carboxamide
CID 877267
4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768290
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75769881) is N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is Cc1ccc2c(c1)N(C)C(=O)C(C)(C(=O)Nc1nc3ccccc3s1)O2.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is FGKNNHWCAYRSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-11-8-9-14-13(10-11)22(3)17(24)19(2,25-14)16(23)21-18-20-12-6-4-5-7-15(12)26-18/h4-10H,1-3H3,(H,20,21,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75769881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).