2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C15H17N5O3S — CID 2888250

IUPAC2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nccs1
InChIInChI=1S/C15H17N5O3S/c21-14(17-15-16-5-10-24-15)11-18-6-8-19(9-7-18)12-1-3-13(4-2-12)20(22)23/h1-5,10H,6-9,11H2,(H,16,17,21)
InChIKeyVMBASGIUVLNASL-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.81
Rot. Bonds5

About 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2888250) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2888250
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nccs1
InChIInChI=1S/C15H17N5O3S/c21-14(17-15-16-5-10-24-15)11-18-6-8-19(9-7-18)12-1-3-13(4-2-12)20(22)23/h1-5,10H,6-9,11H2,(H,16,17,21)
InChIKeyVMBASGIUVLNASL-UHFFFAOYSA-N
XLogP1.81
TPSA91.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 2888250) is 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nccs1.
What is the InChIKey of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VMBASGIUVLNASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c21-14(17-15-16-5-10-24-15)11-18-6-8-19(9-7-18)12-1-3-13(4-2-12)20(22)23/h1-5,10H,6-9,11H2,(H,16,17,21).
What are the key properties of 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 347.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-nitrophenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2888250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).