N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide

C17H18N4O3S — CID 29220127

IUPACN'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide
SMILESCc1csc(=O)n1CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N4O3S/c1-11-10-25-17(24)21(11)7-6-15(22)19-20-16(23)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,9-10,18H,6-8H2,1H3,(H,19,22)(H,20,23)
InChIKeyZPHXXXQHERYSTC-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.48
Rot. Bonds5

About N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide

N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide (PubChem CID 29220127) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide
PubChem CID29220127
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide
SMILESCc1csc(=O)n1CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H18N4O3S/c1-11-10-25-17(24)21(11)7-6-15(22)19-20-16(23)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,9-10,18H,6-8H2,1H3,(H,19,22)(H,20,23)
InChIKeyZPHXXXQHERYSTC-UHFFFAOYSA-N
XLogP1.48
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide 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-(1H-indol-3-yl)acetyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanehydrazide
CID 24665687
3-indol-1-yl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 31830439
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 1H-indole-3-carboxylate
CID 46609312
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
CID 39430911
N'-[2-(1H-indol-3-yl)acetyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanehydrazide
CID 32795936
2-(1H-indol-3-yl)-N'-[2-(9-oxoacridin-10-yl)acetyl]acetohydrazide
CID 31860262
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 134029589
N'-[2-(1H-indol-3-yl)acetyl]-3-methyltriazole-4-carbohydrazide
CID 100694106

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide (CID 29220127) is N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide is Cc1csc(=O)n1CCC(=O)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide?
The InChIKey is ZPHXXXQHERYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-10-25-17(24)21(11)7-6-15(22)19-20-16(23)8-12-9-18-14-5-3-2-4-13(12)14/h2-5,9-10,18H,6-8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide has a molecular weight of 358.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanehydrazide is sourced from PubChem (CID 29220127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).