N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide

C17H18N6O2S — CID 100723086

IUPACN'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)n(C)n1
InChIInChI=1S/C17H18N6O2S/c1-11-10-14(23(3)21-11)20-16(25)15(24)19-12-4-6-13(7-5-12)26-17-18-8-9-22(17)2/h4-10H,1-3H3,(H,19,24)(H,20,25)
InChIKeyLNWGSIPDXIKPJR-UHFFFAOYSA-N
MW370.44 g/mol
LogP2.19
Rot. Bonds4

About N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide

N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide (PubChem CID 100723086) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide.

Molecular Properties

Compound NameN'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
PubChem CID100723086
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC NameN'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)n(C)n1
InChIInChI=1S/C17H18N6O2S/c1-11-10-14(23(3)21-11)20-16(25)15(24)19-12-4-6-13(7-5-12)26-17-18-8-9-22(17)2/h4-10H,1-3H3,(H,19,24)(H,20,25)
InChIKeyLNWGSIPDXIKPJR-UHFFFAOYSA-N
XLogP2.19
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide 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

2-amino-2-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]propanamide;hydrochloride
CID 119276286
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
CID 47138421
2-(cyclopropylmethylamino)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 119699001
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-N'-(1-phenylcyclobutyl)oxamide
CID 100669101
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 55497406
5-ethyl-4-methyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]thiophene-2-carboxamide
CID 55491048
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]adamantane-2-carboxamide
CID 55498030
2-(2-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]acetamide
CID 51297425
N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-(trifluoromethoxy)benzamide
CID 55490455
2-iodo-N-[2-[4-(1-methylimidazol-2-yl)sulfanylanilino]-2-oxoethyl]benzamide
CID 55519361
1-(4-fluorophenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 134003334
4-amino-3-methoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide;hydrochloride
CID 120587660

Frequently Asked Questions

What is the IUPAC name of N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide?
The IUPAC name of N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide (CID 100723086) is N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide.
What is the SMILES notation for N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide?
The canonical SMILES for N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide is Cc1cc(NC(=O)C(=O)Nc2ccc(Sc3nccn3C)cc2)n(C)n1.
What is the InChIKey of N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide?
The InChIKey is LNWGSIPDXIKPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-11-10-14(23(3)21-11)20-16(25)15(24)19-12-4-6-13(7-5-12)26-17-18-8-9-22(17)2/h4-10H,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide?
N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide has a molecular weight of 370.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,5-dimethylpyrazol-3-yl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]oxamide is sourced from PubChem (CID 100723086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).