2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole

C15H18N4O2S — CID 133476612

IUPAC2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H18N4O2S/c1-12(15-16-6-11-22-15)17-7-9-18(10-8-17)13-2-4-14(5-3-13)19(20)21/h2-6,11-12H,7-10H2,1H3
InChIKeyZABSXHQFAIVTCH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.93
Rot. Bonds4

About 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole

2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole (PubChem CID 133476612) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
PubChem CID133476612
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
SMILESCC(c1nccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
InChIInChI=1S/C15H18N4O2S/c1-12(15-16-6-11-22-15)17-7-9-18(10-8-17)13-2-4-14(5-3-13)19(20)21/h2-6,11-12H,7-10H2,1H3
InChIKeyZABSXHQFAIVTCH-UHFFFAOYSA-N
XLogP2.93
TPSA62.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4-chloro-2-(4-nitrophenyl)-5-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridazin-3-one
CID 133476465
N-methyl-5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzamide
CID 133476554
2-[1-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476620
2-[1-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476537
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
CID 133476732
2-[1-[4-(3-bromo-5-nitro-4-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476609
2-[1-[4-[(4-methyl-3-nitrophenyl)methyl]piperazin-1-yl]ethyl]-1,3-thiazole
CID 122143737
[2-methyl-3,5-dinitro-4-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]phenyl]methanol
CID 133476616
4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzonitrile
CID 133476408
2-[1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476367
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
2-[4-(4-nitrophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 46630643

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole (CID 133476612) is 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole is CC(c1nccs1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is ZABSXHQFAIVTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-12(15-16-6-11-22-15)17-7-9-18(10-8-17)13-2-4-14(5-3-13)19(20)21/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole?
2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 318.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 133476612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).