2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide

C9H12N6OS — CID 114911462

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cnns2)c(C)c1N
InChIInChI=1S/C9H12N6OS/c1-5-9(10)6(2)15(13-5)4-7(16)12-8-3-11-14-17-8/h3H,4,10H2,1-2H3,(H,12,16)
InChIKeyHMLDQEGAQDNJRH-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.57
Rot. Bonds3

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide (PubChem CID 114911462) has the molecular formula C9H12N6OS and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide
PubChem CID114911462
Molecular FormulaC9H12N6OS
Molecular Weight252.30 g/mol
Exact Mass252.08
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide
SMILESCc1nn(CC(=O)Nc2cnns2)c(C)c1N
InChIInChI=1S/C9H12N6OS/c1-5-9(10)6(2)15(13-5)4-7(16)12-8-3-11-14-17-8/h3H,4,10H2,1-2H3,(H,12,16)
InChIKeyHMLDQEGAQDNJRH-UHFFFAOYSA-N
XLogP0.57
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 43382408
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-thiophen-3-ylacetamide
CID 66351630
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,6-difluorophenyl)acetamide
CID 43445438
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
CID 61471909
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(5,6-dimethyl-1,2,4-triazin-3-yl)acetamide
CID 114386539
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)phenyl]acetamide
CID 106759281
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 43445407
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(thiadiazol-5-yl)acetamide
CID 99833208
methyl 2-[[2-(4-amino-3,5-dimethylpyrazol-1-yl)acetyl]amino]acetate
CID 43445168
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)acetamide
CID 43498545
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 61282234
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43445437

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide (CID 114911462) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide is Cc1nn(CC(=O)Nc2cnns2)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide?
The InChIKey is HMLDQEGAQDNJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6OS/c1-5-9(10)6(2)15(13-5)4-7(16)12-8-3-11-14-17-8/h3H,4,10H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide has a molecular weight of 252.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(thiadiazol-5-yl)acetamide is sourced from PubChem (CID 114911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).