N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide

C20H22N4O3S2 — CID 4701560

IUPACN,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccc(O)c3)n2)c1
InChIInChI=1S/C20H22N4O3S2/c1-3-24(4-2)29(26,27)18-10-6-8-16(12-18)19-14-28-20(22-19)23-21-13-15-7-5-9-17(25)11-15/h5-14,25H,3-4H2,1-2H3,(H,22,23)
InChIKeyCQSVQZDUIUQHKC-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.99
Rot. Bonds8

About N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide

N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 4701560) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID4701560
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC NameN,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccc(O)c3)n2)c1
InChIInChI=1S/C20H22N4O3S2/c1-3-24(4-2)29(26,27)18-10-6-8-16(12-18)19-14-28-20(22-19)23-21-13-15-7-5-9-17(25)11-15/h5-14,25H,3-4H2,1-2H3,(H,22,23)
InChIKeyCQSVQZDUIUQHKC-UHFFFAOYSA-N
XLogP3.99
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide 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-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide
CID 135607789
3-[2-(2-benzylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701435
3-[[[4-(3-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1402433
N,N-dipropyl-3-[2-[2-(thiophen-2-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 4701466
3-[2-(2-cinnamylidenehydrazinyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701511
N,N-diethyl-4-[2-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 6276601
3-[2-[2-[(3-fluorophenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 4874212
3-[2-[2-[(2,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide
CID 4701568
2-ethoxy-4-[[[4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 1400261
3-[[(4-tert-butyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 3422737
4-[[[4-[3-(azepan-1-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-ethoxyphenol
CID 4701496
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide (CID 4701560) is N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(-c2csc(NN=Cc3cccc(O)c3)n2)c1.
What is the InChIKey of N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is CQSVQZDUIUQHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-3-24(4-2)29(26,27)18-10-6-8-16(12-18)19-14-28-20(22-19)23-21-13-15-7-5-9-17(25)11-15/h5-14,25H,3-4H2,1-2H3,(H,22,23).
What are the key properties of N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide?
N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 430.56 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 4701560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).