N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide

C12H15N5O3S — CID 126827824

IUPACN-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCCc1csc(C(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C12H15N5O3S/c1-3-9-7-21-12(15-9)8(2)14-11(18)6-16-5-10(4-13-16)17(19)20/h4-5,7-8H,3,6H2,1-2H3,(H,14,18)
InChIKeyUWRKEQPHIOMICI-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.69
Rot. Bonds6

About N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide

N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 126827824) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID126827824
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC NameN-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide
SMILESCCc1csc(C(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1
InChIInChI=1S/C12H15N5O3S/c1-3-9-7-21-12(15-9)8(2)14-11(18)6-16-5-10(4-13-16)17(19)20/h4-5,7-8H,3,6H2,1-2H3,(H,14,18)
InChIKeyUWRKEQPHIOMICI-UHFFFAOYSA-N
XLogP1.69
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(2R)-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 54990888
N-[(2R)-1-methoxypropan-2-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 35562414
methyl 3-methyl-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]butanoate
CID 43423558
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
2-(4-nitropyrazol-1-yl)-N-[1-(3-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19516039
3-hydroxy-2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]propanoic acid
CID 43357618
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
2-(4-nitropyrazol-1-yl)-N-[(1R)-1-pyridin-2-ylpropyl]acetamide
CID 126827782
N-[2-(methylamino)propyl]-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120829486
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284156
N-(3-aminobutyl)-2-(4-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119496278
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide (CID 126827824) is N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide is CCc1csc(C(C)NC(=O)Cn2cc([N+](=O)[O-])cn2)n1.
What is the InChIKey of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is UWRKEQPHIOMICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-3-9-7-21-12(15-9)8(2)14-11(18)6-16-5-10(4-13-16)17(19)20/h4-5,7-8H,3,6H2,1-2H3,(H,14,18).
What are the key properties of N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide?
N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 309.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 126827824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).