N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

C18H13N3O4S — CID 24586156

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)nc12
InChIInChI=1S/C18H13N3O4S/c1-21-16(23)10-7-6-9(8-11(10)17(21)24)15(22)20-18-19-14-12(25-2)4-3-5-13(14)26-18/h3-8H,1-2H3,(H,19,20,22)
InChIKeyIDNDLYYCQDJQNW-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.78
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 24586156) has the molecular formula C18H13N3O4S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID24586156
Molecular FormulaC18H13N3O4S
Molecular Weight367.39 g/mol
Exact Mass367.06
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESCOc1cccc2sc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)nc12
InChIInChI=1S/C18H13N3O4S/c1-21-16(23)10-7-6-9(8-11(10)17(21)24)15(22)20-18-19-14-12(25-2)4-3-5-13(14)26-18/h3-8H,1-2H3,(H,19,20,22)
InChIKeyIDNDLYYCQDJQNW-UHFFFAOYSA-N
XLogP2.78
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4-methoxy-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 43952233
4-(difluoromethoxy)-3-methoxy-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 31892120
N-(4-methoxy-1,3-benzothiazol-2-yl)-4-methylsulfinylbenzamide
CID 78797294
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
2-benzamido-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 35871813
1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 24564587
N-(4-methoxy-1,3-benzothiazol-2-yl)-1H-pyrrole-2-carboxamide
CID 110461136
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
2-[(3,4-dimethoxybenzoyl)amino]-1,3-benzothiazole-4-carboxamide
CID 173125975
3-[[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]amino]-N-(4-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 100685529

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 24586156) is N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is COc1cccc2sc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)nc12.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is IDNDLYYCQDJQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4S/c1-21-16(23)10-7-6-9(8-11(10)17(21)24)15(22)20-18-19-14-12(25-2)4-3-5-13(14)26-18/h3-8H,1-2H3,(H,19,20,22).
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 24586156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).