(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one

C12H11N3OS — CID 6521588

IUPAC(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one
SMILESO=C1CC/C(=N/Nc2nc3ccccc3s2)C1
InChIInChI=1S/C12H11N3OS/c16-9-6-5-8(7-9)14-15-12-13-10-3-1-2-4-11(10)17-12/h1-4H,5-7H2,(H,13,15)/b14-8-
InChIKeySGUPYLOPDVQWGM-ZSOIEALJSA-N
MW245.31 g/mol
LogP2.82
Rot. Bonds2

About (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one

(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one (PubChem CID 6521588) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one.

Molecular Properties

Compound Name(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one
PubChem CID6521588
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one
SMILESO=C1CC/C(=N/Nc2nc3ccccc3s2)C1
InChIInChI=1S/C12H11N3OS/c16-9-6-5-8(7-9)14-15-12-13-10-3-1-2-4-11(10)17-12/h1-4H,5-7H2,(H,13,15)/b14-8-
InChIKeySGUPYLOPDVQWGM-ZSOIEALJSA-N
XLogP2.82
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylideneamino)-1,3-benzothiazol-2-amine
CID 4309192
N-(1,3-dihydroinden-2-ylideneamino)-1,3-benzothiazol-2-amine
CID 9017158
N-[(4-tert-butylcyclohexylidene)amino]-1,3-benzothiazol-2-amine
CID 4219871
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-hydroxy-3H-inden-1-one
CID 167483037
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-bromo-3H-inden-1-one
CID 167483085
6-[(1E)-1-(1,3-benzothiazol-2-ylhydrazinylidene)-2,3-dihydroinden-4-yl]pyridine-2-carboxylic acid
CID 71747851
N-(6-bicyclo[3.2.0]hept-3-enylideneamino)-1,3-benzothiazol-2-amine
CID 4562725
(2Z)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-6-(diethylamino)-3H-inden-1-one
CID 167483103
(5E)-2-(1,3-benzothiazol-2-ylhydrazinylidene)-5-[(4-chlorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 136822931
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
4-[(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzoic acid
CID 3146680
3-(1,3-benzothiazol-2-ylhydrazinylidene)propane-1,2-diol
CID 2849227

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one?
The IUPAC name of (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one (CID 6521588) is (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one.
What is the SMILES notation for (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one?
The canonical SMILES for (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one is O=C1CC/C(=N/Nc2nc3ccccc3s2)C1.
What is the InChIKey of (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one?
The InChIKey is SGUPYLOPDVQWGM-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H11N3OS/c16-9-6-5-8(7-9)14-15-12-13-10-3-1-2-4-11(10)17-12/h1-4H,5-7H2,(H,13,15)/b14-8-.
What are the key properties of (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one?
(3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one has a molecular weight of 245.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1,3-benzothiazol-2-ylhydrazinylidene)cyclopentan-1-one is sourced from PubChem (CID 6521588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).