N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H15N3O3S — CID 4053409

IUPACN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C
InChIInChI=1S/C19H15N3O3S/c1-10-7-8-14-16(11(10)2)21-19(26-14)20-15(23)9-22-17(24)12-5-3-4-6-13(12)18(22)25/h3-8H,9H2,1-2H3,(H,20,21,23)
InChIKeyYOIUMSMNFQFUCE-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.15
Rot. Bonds3

About N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 4053409) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID4053409
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1ccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C
InChIInChI=1S/C19H15N3O3S/c1-10-7-8-14-16(11(10)2)21-19(26-14)20-15(23)9-22-17(24)12-5-3-4-6-13(12)18(22)25/h3-8H,9H2,1-2H3,(H,20,21,23)
InChIKeyYOIUMSMNFQFUCE-UHFFFAOYSA-N
XLogP3.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 4053409) is N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1ccc2sc(NC(=O)CN3C(=O)c4ccccc4C3=O)nc2c1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is YOIUMSMNFQFUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c1-10-7-8-14-16(11(10)2)21-19(26-14)20-15(23)9-22-17(24)12-5-3-4-6-13(12)18(22)25/h3-8H,9H2,1-2H3,(H,20,21,23).
What are the key properties of N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 4053409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).