N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide

C17H16N2OS — CID 2569722

IUPACN-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCCC1
InChIInChI=1S/C17H16N2OS/c20-16(12-6-1-2-7-12)19-17-18-15-13-8-4-3-5-11(13)9-10-14(15)21-17/h3-5,8-10,12H,1-2,6-7H2,(H,18,19,20)
InChIKeyRDEAJFBOUPLWFS-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.58
Rot. Bonds2

About N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide

N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide (PubChem CID 2569722) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide
PubChem CID2569722
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC NameN-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCCC1
InChIInChI=1S/C17H16N2OS/c20-16(12-6-1-2-7-12)19-17-18-15-13-8-4-3-5-11(13)9-10-14(15)21-17/h3-5,8-10,12H,1-2,6-7H2,(H,18,19,20)
InChIKeyRDEAJFBOUPLWFS-UHFFFAOYSA-N
XLogP4.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ska-31
CID 94880
N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(1,3-Benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 591698
N-Naphtho[1,2-d]thiazol-2-yl-acetamide
CID 808687
Cyclohexanecarboxylic acid (2-acetylamino-4-methyl-benzothiazol-6-yl)-amide
CID 1160464
N-(1,3-Benzothiazol-2-YL)-1-naphthamide
CID 708647
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 889037
N-(4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 836586
3-acetamido-N-benzo[e][1,3]benzothiazol-2-ylpropanamide
CID 2114353
N-(4,6-difluorobenzo[d]thiazol-2-yl)-3-phenylpropanamide
CID 2409677
N-(6-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 44623048
Casein kinase 1|A-IN-5
CID 77106470

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide (CID 2569722) is N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)C1CCCC1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide?
The InChIKey is RDEAJFBOUPLWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c20-16(12-6-1-2-7-12)19-17-18-15-13-8-4-3-5-11(13)9-10-14(15)21-17/h3-5,8-10,12H,1-2,6-7H2,(H,18,19,20).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide?
N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide has a molecular weight of 296.39 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 2569722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).