N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H16F3N5OS — CID 30280051

IUPACN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCCc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C13H16F3N5OS/c1-2-3-4-5-11-18-19-12(23-11)17-10(22)8-21-7-6-9(20-21)13(14,15)16/h6-7H,2-5,8H2,1H3,(H,17,19,22)
InChIKeyMGXOYQJEBOUEEN-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.12
Rot. Bonds7

About N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 30280051) has the molecular formula C13H16F3N5OS and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID30280051
Molecular FormulaC13H16F3N5OS
Molecular Weight347.37 g/mol
Exact Mass347.10
IUPAC NameN-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCCCCCc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1
InChIInChI=1S/C13H16F3N5OS/c1-2-3-4-5-11-18-19-12(23-11)17-10(22)8-21-7-6-9(20-21)13(14,15)16/h6-7H,2-5,8H2,1H3,(H,17,19,22)
InChIKeyMGXOYQJEBOUEEN-UHFFFAOYSA-N
XLogP3.12
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 30280051) is N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CCCCCc1nnc(NC(=O)Cn2ccc(C(F)(F)F)n2)s1.
What is the InChIKey of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is MGXOYQJEBOUEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5OS/c1-2-3-4-5-11-18-19-12(23-11)17-10(22)8-21-7-6-9(20-21)13(14,15)16/h6-7H,2-5,8H2,1H3,(H,17,19,22).
What are the key properties of N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pentyl-1,3,4-thiadiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 30280051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).