N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide

C16H17N5OS — CID 46472377

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cc2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C16H17N5OS/c1-11(2)15-19-20-16(23-15)18-14(22)10-12-4-6-13(7-5-12)21-9-3-8-17-21/h3-9,11H,10H2,1-2H3,(H,18,20,22)
InChIKeyLLFDPCLQKKWQHP-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.03
Rot. Bonds5

About N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide (PubChem CID 46472377) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
PubChem CID46472377
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide
SMILESCC(C)c1nnc(NC(=O)Cc2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C16H17N5OS/c1-11(2)15-19-20-16(23-15)18-14(22)10-12-4-6-13(7-5-12)21-9-3-8-17-21/h3-9,11H,10H2,1-2H3,(H,18,20,22)
InChIKeyLLFDPCLQKKWQHP-UHFFFAOYSA-N
XLogP3.03
TPSA72.70 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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[5-[[2-(4-pyrazol-1-ylphenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 46472582
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 134697182
N-(2,6-diethylphenyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 86997630
2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 66491050
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55600753
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-(pyrazol-1-ylmethyl)benzamide
CID 30043833
2-(2,6-dichlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 18093734
2-(4-pyrazol-1-ylphenyl)-N-(thiadiazol-5-yl)acetamide
CID 99833206
N-(3-hydroxy-4-methylpentyl)-2-(4-pyrazol-1-ylphenyl)acetamide
CID 111461001
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[6-(4-pyrazol-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7519631
3-amino-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119274458
1-(4-pyrazol-1-ylphenyl)propan-2-ol
CID 83675061

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide (CID 46472377) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide is CC(C)c1nnc(NC(=O)Cc2ccc(-n3cccn3)cc2)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
The InChIKey is LLFDPCLQKKWQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11(2)15-19-20-16(23-15)18-14(22)10-12-4-6-13(7-5-12)21-9-3-8-17-21/h3-9,11H,10H2,1-2H3,(H,18,20,22).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide has a molecular weight of 327.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-(4-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46472377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).