(5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one

C20H18N4OS — CID 123515618

IUPAC(5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one
SMILESCN(C)C=c1c(=O)n(-c2nc3ccccc3s2)[nH]/c1=C\c1ccccc1
InChIInChI=1S/C20H18N4OS/c1-23(2)13-15-17(12-14-8-4-3-5-9-14)22-24(19(15)25)20-21-16-10-6-7-11-18(16)26-20/h3-13,22H,1-2H3/b15-13?,17-12-
InChIKeyCWJPTZCBXFSCFM-UNGDLVQZSA-N
MW362.46 g/mol
LogP1.90
Rot. Bonds3

About (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one

(5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one (PubChem CID 123515618) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one.

Molecular Properties

Compound Name(5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one
PubChem CID123515618
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name(5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one
SMILESCN(C)C=c1c(=O)n(-c2nc3ccccc3s2)[nH]/c1=C\c1ccccc1
InChIInChI=1S/C20H18N4OS/c1-23(2)13-15-17(12-14-8-4-3-5-9-14)22-24(19(15)25)20-21-16-10-6-7-11-18(16)26-20/h3-13,22H,1-2H3/b15-13?,17-12-
InChIKeyCWJPTZCBXFSCFM-UNGDLVQZSA-N
XLogP1.90
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-benzothiazol-2-yl)-3-methyl-1H-1,2,4-triazol-5-one
CID 115371955
2-(1,3-benzothiazol-2-yl)-4-methanimidoyl-5-(4-methylphenyl)-1H-pyrazol-3-one
CID 137214947
2-(1,3-benzothiazol-2-yl)-4-[[2-(1,3-benzothiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-(4-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-one
CID 3130488
2-(1,3-benzothiazol-2-yl)-8-methyl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 52916658
1-(1,3-benzothiazol-2-yl)-4-naphthalen-1-yl-1,2,4-triazolidine-3,5-dione
CID 10451143
2-(1,3-benzothiazol-2-yl)-5-cyclopropyl-1H-pyrazol-3-one
CID 66022565
methyl (2Z)-2-[1-(1,3-benzothiazol-2-yl)-4-(1-ethoxypropylidene)-5-oxopyrazolidin-3-ylidene]acetate
CID 7008253
2-(1,3-benzothiazol-2-yl)-4-(2-hydroxyethyliminomethyl)-5-phenyl-1H-pyrazol-3-one
CID 4646941
2-(1,3-benzothiazol-2-yl)-6-propyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
CID 7556509
2-(1,3-benzothiazol-2-yl)-5-methyl-4-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-1H-pyrazol-3-one
CID 135644485
2-(1,3-benzothiazol-2-yl)-8-bromo-1H-pyrazolo[4,3-c]quinolin-3-one
CID 52916659
2-(1,3-benzothiazol-2-yl)-4-(2,3-dihydro-1H-inden-2-yliminomethyl)-5-phenyl-1H-pyrazol-3-one
CID 135747445

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one?
The IUPAC name of (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one (CID 123515618) is (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one.
What is the SMILES notation for (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one?
The canonical SMILES for (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one is CN(C)C=c1c(=O)n(-c2nc3ccccc3s2)[nH]/c1=C\c1ccccc1.
What is the InChIKey of (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one?
The InChIKey is CWJPTZCBXFSCFM-UNGDLVQZSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-23(2)13-15-17(12-14-8-4-3-5-9-14)22-24(19(15)25)20-21-16-10-6-7-11-18(16)26-20/h3-13,22H,1-2H3/b15-13?,17-12-.
What are the key properties of (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one?
(5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one has a molecular weight of 362.46 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(1,3-benzothiazol-2-yl)-5-benzylidene-4-(dimethylaminomethylidene)pyrazolidin-3-one is sourced from PubChem (CID 123515618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).