4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide

C17H22N6O2S — CID 8968237

IUPAC4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H22N6O2S/c1-13-16(26-21-18-13)17(25)20-19-15(24)7-8-22-9-11-23(12-10-22)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,19,24)(H,20,25)
InChIKeyNXADRZJTJHUSEX-UHFFFAOYSA-N
MW374.47 g/mol
LogP0.82
Rot. Bonds5

About 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide

4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide (PubChem CID 8968237) has the molecular formula C17H22N6O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
PubChem CID8968237
Molecular FormulaC17H22N6O2S
Molecular Weight374.47 g/mol
Exact Mass374.15
IUPAC Name4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
SMILESCc1nnsc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H22N6O2S/c1-13-16(26-21-18-13)17(25)20-19-15(24)7-8-22-9-11-23(12-10-22)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,19,24)(H,20,25)
InChIKeyNXADRZJTJHUSEX-UHFFFAOYSA-N
XLogP0.82
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
1-benzyl-3,5-dimethyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]pyrazole-4-carbohydrazide
CID 26245753
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
N-(4-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661863
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
CID 18281862
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71984489
2-chloro-6-fluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 7551003
2-chloro-4,5-difluoro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 26523820

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide (CID 8968237) is 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide is Cc1nnsc1C(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide?
The InChIKey is NXADRZJTJHUSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2S/c1-13-16(26-21-18-13)17(25)20-19-15(24)7-8-22-9-11-23(12-10-22)14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,19,24)(H,20,25).
What are the key properties of 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide?
4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide has a molecular weight of 374.47 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide is sourced from PubChem (CID 8968237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).