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

C19H17N3O2S2 — CID 9414913

IUPACN'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-13-7-9-14(10-8-13)16-12-26-19(25)22(16)11-17(23)20-21-18(24)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeySNZGANCEPVRXSN-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.72
Rot. Bonds4

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

N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide (PubChem CID 9414913) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
PubChem CID9414913
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
SMILESCc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H17N3O2S2/c1-13-7-9-14(10-8-13)16-12-26-19(25)22(16)11-17(23)20-21-18(24)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeySNZGANCEPVRXSN-UHFFFAOYSA-N
XLogP3.72
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.72
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'}

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

2-methyl-N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide
CID 9220959
N',N'-dimethyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetohydrazide
CID 9164002
N-cyclohexyl-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 9338142
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24647566
N'-[2-(2-ethoxyphenoxy)acetyl]-2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetohydrazide
CID 16592486
N'-[3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]benzohydrazide
CID 51274661
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24545899
N'-[3-(4-methylphenoxy)propanoyl]benzohydrazide
CID 7969097
N-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetamide
CID 24539119
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetate
CID 3607181
2-[4-(4-methylphenyl)-2-oxo-1,3-thiazol-3-yl]-N-methylsulfonylacetamide
CID 154805740

Frequently Asked Questions

What is the IUPAC name of N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
The IUPAC name of N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide (CID 9414913) is N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide.
What is the SMILES notation for N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
The canonical SMILES for N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide is Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
The InChIKey is SNZGANCEPVRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-13-7-9-14(10-8-13)16-12-26-19(25)22(16)11-17(23)20-21-18(24)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide?
N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide has a molecular weight of 383.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[4-(4-methylphenyl)-2-sulfanylidene-1,3-thiazol-3-yl]acetyl]benzohydrazide is sourced from PubChem (CID 9414913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).