3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide

C24H28N4O2S2 — CID 4701511

IUPAC3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1
InChIInChI=1S/C24H28N4O2S2/c1-3-16-28(17-4-2)32(29,30)22-14-8-13-21(18-22)23-19-31-24(26-23)27-25-15-9-12-20-10-6-5-7-11-20/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,26,27)
InChIKeyUYHCVVSDATVHKG-UHFFFAOYSA-N
MW468.65 g/mol
LogP5.73
Rot. Bonds11

About 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide

3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide (PubChem CID 4701511) has the molecular formula C24H28N4O2S2 and a molecular weight of 468.65 g/mol. Its IUPAC name is 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
PubChem CID4701511
Molecular FormulaC24H28N4O2S2
Molecular Weight468.65 g/mol
Exact Mass468.17
IUPAC Name3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1
InChIInChI=1S/C24H28N4O2S2/c1-3-16-28(17-4-2)32(29,30)22-14-8-13-21(18-22)23-19-31-24(26-23)27-25-15-9-12-20-10-6-5-7-11-20/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,26,27)
InChIKeyUYHCVVSDATVHKG-UHFFFAOYSA-N
XLogP5.73
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide 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

3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701435
N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701466
3-[2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701568
N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701560
3-[2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 135607789
4-[4-(azepan-1-ylsulfonyl)phenyl]-N-(cinnamylideneamino)-1,3-thiazol-2-amine
CID 4659241
3-[2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dimethylbenzenesulfonamide
CID 1400422
6-(2-cinnamylidenehydrazinyl)-N,N-diethylpyridine-3-sulfonamide
CID 73423868
N,N-diethyl-6-[(2E)-2-[(E)-3-phenylprop-2-enylidene]hydrazinyl]pyridine-3-sulfonamide
CID 18205744
3-(diethylsulfamoyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1275885
ethyl 2-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]acetate
CID 2787799
3-[(3E)-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]prop-1-enyl]phenol
CID 173040471

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide (CID 4701511) is 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1cccc(-c2csc(NN=CC=Cc3ccccc3)n2)c1.
What is the InChIKey of 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide?
The InChIKey is UYHCVVSDATVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S2/c1-3-16-28(17-4-2)32(29,30)22-14-8-13-21(18-22)23-19-31-24(26-23)27-25-15-9-12-20-10-6-5-7-11-20/h5-15,18-19H,3-4,16-17H2,1-2H3,(H,26,27).
What are the key properties of 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide?
3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide has a molecular weight of 468.65 g/mol, XLogP of 5.73, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 4701511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).