2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C16H17N5OS — CID 2816029

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccn2C)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-12-10-14(21(19-12)13-6-4-3-5-7-13)18-15(22)11-23-16-17-8-9-20(16)2/h3-10H,11H2,1-2H3,(H,18,22)
InChIKeyYNORCNWYOVPLNU-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.65
Rot. Bonds5

About 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 2816029) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID2816029
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nccn2C)n(-c2ccccc2)n1
InChIInChI=1S/C16H17N5OS/c1-12-10-14(21(19-12)13-6-4-3-5-7-13)18-15(22)11-23-16-17-8-9-20(16)2/h3-10H,11H2,1-2H3,(H,18,22)
InChIKeyYNORCNWYOVPLNU-UHFFFAOYSA-N
XLogP2.65
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-fluorophenyl)acetamide
CID 1994361
2-((1-(4-fluorophenyl)-1H-imidazol-2-yl)thio)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4170205
N1-phenyl-2-({4-methyl-5-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide
CID 2822811
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(2-fluorophenyl)acetamide
CID 3851861
2-((4-ET-5-(2-Pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(4-methylphenyl)acetamide
CID 2018937
2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
CID 651481
2-[(4-Phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 974207
N-(4-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
CID 1834503
N-tert-butyl-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2120689
2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 2462465
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[4-(2-methoxyethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2464044
2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 2816022

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 2816029) is 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nccn2C)n(-c2ccccc2)n1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is YNORCNWYOVPLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-12-10-14(21(19-12)13-6-4-3-5-7-13)18-15(22)11-23-16-17-8-9-20(16)2/h3-10H,11H2,1-2H3,(H,18,22).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 2816029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).