2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

C15H15N5O3S — CID 2550594

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2c1
InChIInChI=1S/C15H15N5O3S/c1-8-4-5-11-12(6-8)24-15(16-11)17-13(21)7-19-10(3)14(20(22)23)9(2)18-19/h4-6H,7H2,1-3H3,(H,16,17,21)
InChIKeyVZMDSNKJAPKATK-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.96
Rot. Bonds4

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2550594) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID2550594
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2c1
InChIInChI=1S/C15H15N5O3S/c1-8-4-5-11-12(6-8)24-15(16-11)17-13(21)7-19-10(3)14(20(22)23)9(2)18-19/h4-6H,7H2,1-3H3,(H,16,17,21)
InChIKeyVZMDSNKJAPKATK-UHFFFAOYSA-N
XLogP2.96
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.96
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'}

Analyze 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-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

Related Compounds

N-1,3-benzothiazol-2-yl-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)acetamide
CID 1256553
N-(5-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
CID 5297263
N-1,3-benzothiazol-2-yl-2-(3-nitro-1H-pyrazol-1-yl)acetamide
CID 1508883
N-1,3-benzothiazol-2-yl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1508884
1-ethyl-N-(7-methyl-1,3-benzothiazol-2-yl)-4-nitropyrazole-5-carboxamide
CID 1084299
N-1,3-benzothiazol-2-yl-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1256176
N-1,3-benzothiazol-2-yl-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4917626
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309307
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420023
N-(1,3-benzothiazol-2-yl)-2-[4-(4-nitrophenyl)triazol-1-yl]acetamide
CID 155559888
N-(1,3-benzothiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41527711
2-[4,5-dimethyl-1-(4-nitroanilino)imidazol-2-yl]sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 171348164

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide (CID 2550594) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1ccc2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2c1.
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is VZMDSNKJAPKATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-8-4-5-11-12(6-8)24-15(16-11)17-13(21)7-19-10(3)14(20(22)23)9(2)18-19/h4-6H,7H2,1-3H3,(H,16,17,21).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2550594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).