N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide

C18H19N3O3S2 — CID 7599888

IUPACN'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NNc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-12-6-8-14(9-7-12)26(23,24)11-10-16(22)20-21-18-19-17-13(2)4-3-5-15(17)25-18/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPHAALLPRTSDCFV-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.22
Rot. Bonds6

About N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide

N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 7599888) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound NameN'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID7599888
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NNc2nc3c(C)cccc3s2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-12-6-8-14(9-7-12)26(23,24)11-10-16(22)20-21-18-19-17-13(2)4-3-5-15(17)25-18/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyPHAALLPRTSDCFV-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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'-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanehydrazide
CID 43953418
N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544064
2-(4-ethylsulfonylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 41145754
N'-(4-bromo-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)sulfonylacetohydrazide
CID 43953357
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-methylsulfonylbenzohydrazide
CID 7599897
N'-(4-methyl-1,3-benzothiazol-2-yl)thiophene-2-carbohydrazide
CID 43953090
3-(4-chlorophenyl)sulfonyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)propanamide
CID 16938501
2-(benzenesulfonyl)-N'-(4-methoxy-1,3-benzothiazol-2-yl)acetohydrazide
CID 7599941
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544182
N'-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-chlorophenyl)sulfonylpropanehydrazide
CID 43953452
N-(4-methyl-1,3-benzothiazol-2-yl)-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51250959
3-chloro-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 12646557

Frequently Asked Questions

What is the IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide (CID 7599888) is N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide is Cc1ccc(S(=O)(=O)CCC(=O)NNc2nc3c(C)cccc3s2)cc1.
What is the InChIKey of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is PHAALLPRTSDCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-12-6-8-14(9-7-12)26(23,24)11-10-16(22)20-21-18-19-17-13(2)4-3-5-15(17)25-18/h3-9H,10-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide?
N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 389.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 7599888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).