N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide

C16H17N5OS — CID 31038872

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C16H17N5OS/c1-2-3-5-14-19-20-16(23-14)18-15(22)12-6-8-13(9-7-12)21-11-4-10-17-21/h4,6-11H,2-3,5H2,1H3,(H,18,20,22)
InChIKeyVEISBXWDRQXUMA-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.32
Rot. Bonds6

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide (PubChem CID 31038872) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
PubChem CID31038872
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide
SMILESCCCCc1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1
InChIInChI=1S/C16H17N5OS/c1-2-3-5-14-19-20-16(23-14)18-15(22)12-6-8-13(9-7-12)21-11-4-10-17-21/h4,6-11H,2-3,5H2,1H3,(H,18,20,22)
InChIKeyVEISBXWDRQXUMA-UHFFFAOYSA-N
XLogP3.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide 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

4-butoxy-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31038665
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(difluoromethylsulfanyl)benzamide
CID 24648203
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-4-pyrazol-1-ylbenzamide
CID 134697182
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-(acetamidomethyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)benzamide
CID 24648084
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 26197220
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-fluorobenzamide
CID 7747528
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099853

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide (CID 31038872) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide is CCCCc1nnc(NC(=O)c2ccc(-n3cccn3)cc2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide?
The InChIKey is VEISBXWDRQXUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-2-3-5-14-19-20-16(23-14)18-15(22)12-6-8-13(9-7-12)21-11-4-10-17-21/h4,6-11H,2-3,5H2,1H3,(H,18,20,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide has a molecular weight of 327.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 31038872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).