N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide

C17H18N2OS — CID 11208752

IUPACN-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2c(s1)Cc1ccccc1C2)C1CCCC1
InChIInChI=1S/C17H18N2OS/c20-16(11-5-1-2-6-11)19-17-18-14-9-12-7-3-4-8-13(12)10-15(14)21-17/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,19,20)
InChIKeyOPJVLFJLYFXJMX-UHFFFAOYSA-N
MW298.41 g/mol
LogP3.77
Rot. Bonds2

About N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide

N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide (PubChem CID 11208752) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide
PubChem CID11208752
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide
SMILESO=C(Nc1nc2c(s1)Cc1ccccc1C2)C1CCCC1
InChIInChI=1S/C17H18N2OS/c20-16(11-5-1-2-6-11)19-17-18-14-9-12-7-3-4-8-13(12)10-15(14)21-17/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,19,20)
InChIKeyOPJVLFJLYFXJMX-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide 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-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide (CID 11208752) is N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide is O=C(Nc1nc2c(s1)Cc1ccccc1C2)C1CCCC1.
What is the InChIKey of N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is OPJVLFJLYFXJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c20-16(11-5-1-2-6-11)19-17-18-14-9-12-7-3-4-8-13(12)10-15(14)21-17/h3-4,7-8,11H,1-2,5-6,9-10H2,(H,18,19,20).
What are the key properties of N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide?
N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 298.41 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,9-dihydrobenzo[f][1,3]benzothiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 11208752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).