N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide

C18H19N3O3S2 — CID 7600433

IUPACN'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide
SMILESCCc1ccc2nc(NNC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H19N3O3S2/c1-3-13-6-9-15-16(10-13)25-18(19-15)21-20-17(22)11-26(23,24)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZZJBEFDSOGNHAQ-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.08
Rot. Bonds6

About N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide

N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide (PubChem CID 7600433) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide.

Molecular Properties

Compound NameN'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide
PubChem CID7600433
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide
SMILESCCc1ccc2nc(NNC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1
InChIInChI=1S/C18H19N3O3S2/c1-3-13-6-9-15-16(10-13)25-18(19-15)21-20-17(22)11-26(23,24)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZZJBEFDSOGNHAQ-UHFFFAOYSA-N
XLogP3.08
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600527
N'-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600565
ethyl 2-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41151414
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7254203
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712
N'-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanehydrazide
CID 43953452
2-(4-chlorophenyl)sulfonyl-N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)acetohydrazide
CID 7600120
N'-(5,7-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 7600108
N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenoxy)propanamide
CID 108802853
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41145741
methyl 2-[[2-(4-ethylsulfonylphenyl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 41145905

Frequently Asked Questions

What is the IUPAC name of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide?
The IUPAC name of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide (CID 7600433) is N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide.
What is the SMILES notation for N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide?
The canonical SMILES for N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide is CCc1ccc2nc(NNC(=O)CS(=O)(=O)c3ccc(C)cc3)sc2c1.
What is the InChIKey of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide?
The InChIKey is ZZJBEFDSOGNHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-3-13-6-9-15-16(10-13)25-18(19-15)21-20-17(22)11-26(23,24)14-7-4-12(2)5-8-14/h4-10H,3,11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide?
N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide has a molecular weight of 389.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-ethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetohydrazide is sourced from PubChem (CID 7600433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).