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

C18H17N3O3S — CID 4876376

IUPAC1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2c1
InChIInChI=1S/C18H17N3O3S/c1-11-4-5-14-15(7-11)25-18(19-14)20-17(23)12-8-16(22)21(9-12)10-13-3-2-6-24-13/h2-7,12H,8-10H2,1H3,(H,19,20,23)
InChIKeyRUHSHALLCRVFGN-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.18
Rot. Bonds4

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

1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4876376) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4876376
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2c1
InChIInChI=1S/C18H17N3O3S/c1-11-4-5-14-15(7-11)25-18(19-14)20-17(23)12-8-16(22)21(9-12)10-13-3-2-6-24-13/h2-7,12H,8-10H2,1H3,(H,19,20,23)
InChIKeyRUHSHALLCRVFGN-UHFFFAOYSA-N
XLogP3.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-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 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide (CID 4876376) is 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc2nc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)sc2c1.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RUHSHALLCRVFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-11-4-5-14-15(7-11)25-18(19-14)20-17(23)12-8-16(22)21(9-12)10-13-3-2-6-24-13/h2-7,12H,8-10H2,1H3,(H,19,20,23).
What are the key properties of 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4876376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).