5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide

C15H18N6O3S — CID 133476732

IUPAC5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(c1nccs1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1
InChIInChI=1S/C15H18N6O3S/c1-10(15-17-2-7-25-15)19-3-5-20(6-4-19)14-12(13(16)22)8-11(9-18-14)21(23)24/h2,7-10H,3-6H2,1H3,(H2,16,22)
InChIKeyISKHLPFQUYMYAJ-UHFFFAOYSA-N
MW362.42 g/mol
LogP1.43
Rot. Bonds5

About 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide

5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 133476732) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID133476732
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCC(c1nccs1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1
InChIInChI=1S/C15H18N6O3S/c1-10(15-17-2-7-25-15)19-3-5-20(6-4-19)14-12(13(16)22)8-11(9-18-14)21(23)24/h2,7-10H,3-6H2,1H3,(H2,16,22)
InChIKeyISKHLPFQUYMYAJ-UHFFFAOYSA-N
XLogP1.43
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

N-methyl-5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]benzamide
CID 133476554
2-[1-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476612
2-[4-(2-methylpropyl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133363039
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-5-nitropyridine-3-carboxamide
CID 133344472
6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 133476331
2-[1-[4-(3-bromo-5-nitro-4-pyridinyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476609
2-[1-[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476620
2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133280056
2-[1-[4-(4-fluoro-2-nitrophenyl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476537
[5-chloro-6-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133476499
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-5-nitropyridine-3-carboxamide
CID 133344317
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide (CID 133476732) is 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide is CC(c1nccs1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1.
What is the InChIKey of 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is ISKHLPFQUYMYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-10(15-17-2-7-25-15)19-3-5-20(6-4-19)14-12(13(16)22)8-11(9-18-14)21(23)24/h2,7-10H,3-6H2,1H3,(H2,16,22).
What are the key properties of 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide?
5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 362.42 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 133476732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).