2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide

C20H19N3O2S2 — CID 9220959

IUPAC2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-7-9-15(10-8-13)17-12-27-20(26)23(17)11-18(24)21-22-19(25)16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGNWJPSGLNCLIRL-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.02
Rot. Bonds4

About 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide

2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide (PubChem CID 9220959) has the molecular formula C20H19N3O2S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
PubChem CID9220959
Molecular FormulaC20H19N3O2S2
Molecular Weight397.53 g/mol
Exact Mass397.09
IUPAC Name2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2ccccc2C)cc1
InChIInChI=1S/C20H19N3O2S2/c1-13-7-9-15(10-8-13)17-12-27-20(26)23(17)11-18(24)21-22-19(25)16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyGNWJPSGLNCLIRL-UHFFFAOYSA-N
XLogP4.02
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
CID 9414913
N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
CID 9164002
N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 3951277
N-cyclohexyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 9338142
N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 9412036
2-methyl-N'-[2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetyl]benzohydrazide
CID 46657014
1-N',4-N'-bis(2-methylbenzoyl)butanedihydrazide
CID 4630875
2-methyl-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]benzohydrazide
CID 9224240
3-hydroxy-N'-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]naphthalene-2-carbohydrazide
CID 18277630
2-methyl-N-[3-[2-(4-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9086797
N-[3-[2-(2-methylbenzoyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 46520523
N-[3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxopropyl]-2-methylbenzamide
CID 9084877

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
The IUPAC name of 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide (CID 9220959) is 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide.
What is the SMILES notation for 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
The canonical SMILES for 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide is Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2ccccc2C)cc1.
What is the InChIKey of 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
The InChIKey is GNWJPSGLNCLIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2/c1-13-7-9-15(10-8-13)17-12-27-20(26)23(17)11-18(24)21-22-19(25)16-6-4-3-5-14(16)2/h3-10,12H,11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide has a molecular weight of 397.53 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide is sourced from PubChem (CID 9220959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).