N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C22H19N3O3S — CID 38700582

IUPACN'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)oc2ccccc12
InChIInChI=1S/C22H19N3O3S/c1-14-17-9-5-6-10-18(17)28-21(14)22(27)25-24-19(26)12-16-13-29-20(23-16)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyHOQHEVYNCWVCRM-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.79
Rot. Bonds5

About N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 38700582) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID38700582
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)oc2ccccc12
InChIInChI=1S/C22H19N3O3S/c1-14-17-9-5-6-10-18(17)28-21(14)22(27)25-24-19(26)12-16-13-29-20(23-16)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyHOQHEVYNCWVCRM-UHFFFAOYSA-N
XLogP3.79
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide 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

N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 56504272
2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 86980707
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86991374
3-methyl-N'-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]-1-benzofuran-2-carbohydrazide
CID 30291084
2-(2-benzyl-1,3-thiazol-4-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 38858056
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-bromo-4-methylphenyl)acetamide
CID 55671045

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 38700582) is N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)Cc2csc(Cc3ccccc3)n2)oc2ccccc12.
What is the InChIKey of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is HOQHEVYNCWVCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c1-14-17-9-5-6-10-18(17)28-21(14)22(27)25-24-19(26)12-16-13-29-20(23-16)11-15-7-3-2-4-8-15/h2-10,13H,11-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 405.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 38700582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).