N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H19N3O3S — CID 4879401

IUPACN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2c1
InChIInChI=1S/C19H19N3O3S/c1-11-6-12(2)17-15(7-11)26-19(20-17)21-18(24)13-8-16(23)22(9-13)10-14-4-3-5-25-14/h3-7,13H,8-10H2,1-2H3,(H,20,21,24)
InChIKeyOLSSFBHQMAKZHD-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.49
Rot. Bonds4

About N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4879401) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4879401
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(C)c2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2c1
InChIInChI=1S/C19H19N3O3S/c1-11-6-12(2)17-15(7-11)26-19(20-17)21-18(24)13-8-16(23)22(9-13)10-14-4-3-5-25-14/h3-7,13H,8-10H2,1-2H3,(H,20,21,24)
InChIKeyOLSSFBHQMAKZHD-UHFFFAOYSA-N
XLogP3.49
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 4879401) is N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is Cc1cc(C)c2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2c1.
What is the InChIKey of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OLSSFBHQMAKZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-11-6-12(2)17-15(7-11)26-19(20-17)21-18(24)13-8-16(23)22(9-13)10-14-4-3-5-25-14/h3-7,13H,8-10H2,1-2H3,(H,20,21,24).
What are the key properties of N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4879401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).