5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide

C14H18N2O2S — CID 11460127

IUPAC5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide
SMILESCNC(=O)c1cc(C(C)(C)C)cc2c(=O)n(C)sc12
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)8-6-9(12(17)15-4)11-10(7-8)13(18)16(5)19-11/h6-7H,1-5H3,(H,15,17)
InChIKeyBPAJTWNNIXEIIN-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.26
Rot. Bonds1

About 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide

5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide (PubChem CID 11460127) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide
PubChem CID11460127
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide
SMILESCNC(=O)c1cc(C(C)(C)C)cc2c(=O)n(C)sc12
InChIInChI=1S/C14H18N2O2S/c1-14(2,3)8-6-9(12(17)15-4)11-10(7-8)13(18)16(5)19-11/h6-7H,1-5H3,(H,15,17)
InChIKeyBPAJTWNNIXEIIN-UHFFFAOYSA-N
XLogP2.26
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzoselenazole-7-carboxamide
CID 11163149
5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzotellurazole-7-carboxamide
CID 11187958
3-oxo-N,2-di(propan-2-yl)-1,2-benzothiazole-7-carboxamide
CID 101211398
N-butyl-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide
CID 20887966
4-(3-oxo-1,2-benzothiazol-2-yl)-N-propylbutanamide
CID 126458672
5-Methyl-3-oxo-3H-benzo[d]isothiazole-2-carboxylic acid butylamide
CID 11437011
5-Butyl-2-methyl-1,2-benzothiazol-3-one
CID 18926976
5-Butyl-1,2-benzothiazol-3(2H)-one
CID 19076694
2-Hexyl-5-methyl-1,2-benzothiazol-3-one
CID 20493162
7-Methyl-2-(piperidin-4-ylmethyl)-1,2-benzothiazol-3-one
CID 20810311
2-(2,2-Dimethylpropyl)-7-methyl-1,2-benzothiazol-3-one
CID 20810313
2,3-Dihydro-1,2-benzothiazole-5-carboxamide
CID 21085398

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide?
The IUPAC name of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide (CID 11460127) is 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide.
What is the SMILES notation for 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide?
The canonical SMILES for 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide is CNC(=O)c1cc(C(C)(C)C)cc2c(=O)n(C)sc12.
What is the InChIKey of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide?
The InChIKey is BPAJTWNNIXEIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(2,3)8-6-9(12(17)15-4)11-10(7-8)13(18)16(5)19-11/h6-7H,1-5H3,(H,15,17).
What are the key properties of 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide?
5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,2-dimethyl-3-oxo-1,2-benzothiazole-7-carboxamide is sourced from PubChem (CID 11460127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).