2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C14H17N7O3S — CID 133455565

IUPAC2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H17N7O3S/c1-10-6-12(15-7-11(10)21(23)24)20-4-2-19(3-5-20)8-13(22)17-14-18-16-9-25-14/h6-7,9H,2-5,8H2,1H3,(H,17,18,22)
InChIKeyUZEPPBMNDRXNNP-UHFFFAOYSA-N
MW363.40 g/mol
LogP0.91
Rot. Bonds5

About 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 133455565) has the molecular formula C14H17N7O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID133455565
Molecular FormulaC14H17N7O3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H17N7O3S/c1-10-6-12(15-7-11(10)21(23)24)20-4-2-19(3-5-20)8-13(22)17-14-18-16-9-25-14/h6-7,9H,2-5,8H2,1H3,(H,17,18,22)
InChIKeyUZEPPBMNDRXNNP-UHFFFAOYSA-N
XLogP0.91
TPSA117.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1,3-dimethyl-4-nitropyrazol-5-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455449
2-[4-(5-bromo-2-nitrophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455498
2-[4-(6-chloropyrazin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455494
2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455507
2,2-dimethyl-3-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]propanal
CID 87488643
1-[(1-methylimidazol-2-yl)methyl]-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133329602
2-(4-methylsulfonylpiperazin-1-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 22200280
1-ethylsulfonyl-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133343061
2-[4-(5-methylquinazolin-4-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455500
4,5-dimethyl-2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-1,3-thiazole
CID 75432040
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 17375351
2-[4-(6-bromoquinolin-2-yl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 133455405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 133455565) is 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cc(N2CCN(CC(=O)Nc3nncs3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is UZEPPBMNDRXNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O3S/c1-10-6-12(15-7-11(10)21(23)24)20-4-2-19(3-5-20)8-13(22)17-14-18-16-9-25-14/h6-7,9H,2-5,8H2,1H3,(H,17,18,22).
What are the key properties of 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 363.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-5-nitro-2-pyridinyl)piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 133455565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).