2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

C15H14N6O3S — CID 41163718

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H14N6O3S/c1-9-14(21(23)24)10(2)20(19-9)7-13(22)18-15-17-12(8-25-15)11-5-3-4-6-16-11/h3-6,8H,7H2,1-2H3,(H,17,18,22)
InChIKeyCLVPGZRNJXDFSQ-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.57
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 41163718) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
PubChem CID41163718
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H14N6O3S/c1-9-14(21(23)24)10(2)20(19-9)7-13(22)18-15-17-12(8-25-15)11-5-3-4-6-16-11/h3-6,8H,7H2,1-2H3,(H,17,18,22)
InChIKeyCLVPGZRNJXDFSQ-UHFFFAOYSA-N
XLogP2.57
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.57
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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2528589
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 27831989
2-[2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-1,3-thiazol-4-yl]acetamide
CID 16962062
2-(4-nitrophenyl)sulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 26203124
2-tert-butylsulfanyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 4798895
N-(2-chlorophenyl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 7277807
2-indol-1-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 52898485
2-(4-methylindol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 53370994
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 122143857
3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]benzamide
CID 78779126
2-(2,5-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 2660521
methyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 34000551

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide (CID 41163718) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is Cc1nn(CC(=O)Nc2nc(-c3ccccn3)cs2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CLVPGZRNJXDFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-9-14(21(23)24)10(2)20(19-9)7-13(22)18-15-17-12(8-25-15)11-5-3-4-6-16-11/h3-6,8H,7H2,1-2H3,(H,17,18,22).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 358.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 41163718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).