N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C19H15N3O3S — CID 38283803

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H15N3O3S/c23-17-8-9-18(24)22(17)13-5-3-4-12(10-13)19(25)20-11-16-21-14-6-1-2-7-15(14)26-16/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyAQTWRJYNVLSERA-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.88
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 38283803) has the molecular formula C19H15N3O3S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID38283803
Molecular FormulaC19H15N3O3S
Molecular Weight365.41 g/mol
Exact Mass365.08
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESO=C(NCc1nc2ccccc2s1)c1cccc(N2C(=O)CCC2=O)c1
InChIInChI=1S/C19H15N3O3S/c23-17-8-9-18(24)22(17)13-5-3-4-12(10-13)19(25)20-11-16-21-14-6-1-2-7-15(14)26-16/h1-7,10H,8-9,11H2,(H,20,25)
InChIKeyAQTWRJYNVLSERA-UHFFFAOYSA-N
XLogP2.88
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 23933844
N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-N-methylbenzamide
CID 39965479
N-(1,3-benzothiazol-2-ylmethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 24543320
N-(1,3-benzothiazol-2-ylmethyl)-3-(cyclopropanecarbonylamino)benzamide
CID 38135778
N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 27378367
N-(1,3-benzothiazol-2-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 24543290
N-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 38135193
N-(1,3-benzothiazol-2-ylmethyl)-3-(ethylsulfamoyl)benzamide
CID 38284178
N-(1,3-benzothiazol-2-ylmethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 47007811
3-(2,5-dioxopyrrolidin-1-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 7772353
N-(1,3-benzothiazol-2-yl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41004770
N-(1,3-benzothiazol-2-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31848361

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 38283803) is N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is O=C(NCc1nc2ccccc2s1)c1cccc(N2C(=O)CCC2=O)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is AQTWRJYNVLSERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S/c23-17-8-9-18(24)22(17)13-5-3-4-12(10-13)19(25)20-11-16-21-14-6-1-2-7-15(14)26-16/h1-7,10H,8-9,11H2,(H,20,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(1,3-benzothiazol-2-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 365.41 g/mol, XLogP of 2.88, 4 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-ylmethyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38283803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).