2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide

C19H17N3O2S2 — CID 75767805

IUPAC2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(C)Sc4ccccc4N(C)C3=O)cc2s1
InChIInChI=1S/C19H17N3O2S2/c1-11-20-13-9-8-12(10-16(13)25-11)21-17(23)19(2)18(24)22(3)14-6-4-5-7-15(14)26-19/h4-10H,1-3H3,(H,21,23)
InChIKeyOVOZFFFXXKZWPQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.07
Rot. Bonds2

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

2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75767805) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75767805
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC Name2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)C3(C)Sc4ccccc4N(C)C3=O)cc2s1
InChIInChI=1S/C19H17N3O2S2/c1-11-20-13-9-8-12(10-16(13)25-11)21-17(23)19(2)18(24)22(3)14-6-4-5-7-15(14)26-19/h4-10H,1-3H3,(H,21,23)
InChIKeyOVOZFFFXXKZWPQ-UHFFFAOYSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.07
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

2,4-dimethyl-3-oxo-N-pyridin-4-yl-1,4-benzothiazine-2-carboxamide
CID 75769735
N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767802
4-ethyl-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768290
2,4-dimethyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1,4-benzothiazine-2-carboxamide
CID 75767911
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
(3R)-3-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 8569714
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
2-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylacetamide
CID 43091108
N-(2-methyl-1,3-benzothiazol-6-yl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16592754
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
5-acetyl-N-(2-methyl-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
CID 18089639

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75767805) is 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide is Cc1nc2ccc(NC(=O)C3(C)Sc4ccccc4N(C)C3=O)cc2s1.
What is the InChIKey of 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is OVOZFFFXXKZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-11-20-13-9-8-12(10-16(13)25-11)21-17(23)19(2)18(24)22(3)14-6-4-5-7-15(14)26-19/h4-10H,1-3H3,(H,21,23).
What are the key properties of 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide?
2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).