3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole

C15H10N4S2 — CID 2796014

IUPAC3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(-n3ccc(-c4cccs4)n3)n2)cc1
InChIInChI=1S/C15H10N4S2/c1-2-5-11(6-3-1)14-16-15(21-18-14)19-9-8-12(17-19)13-7-4-10-20-13/h1-10H
InChIKeyUZKFGROFGOQFOF-UHFFFAOYSA-N
MW310.41 g/mol
LogP4.12
Rot. Bonds3

About 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole

3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole (PubChem CID 2796014) has the molecular formula C15H10N4S2 and a molecular weight of 310.41 g/mol. Its IUPAC name is 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole
PubChem CID2796014
Molecular FormulaC15H10N4S2
Molecular Weight310.41 g/mol
Exact Mass310.03
IUPAC Name3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole
SMILESc1ccc(-c2nsc(-n3ccc(-c4cccs4)n3)n2)cc1
InChIInChI=1S/C15H10N4S2/c1-2-5-11(6-3-1)14-16-15(21-18-14)19-9-8-12(17-19)13-7-4-10-20-13/h1-10H
InChIKeyUZKFGROFGOQFOF-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole (CID 2796014) is 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole is c1ccc(-c2nsc(-n3ccc(-c4cccs4)n3)n2)cc1.
What is the InChIKey of 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole?
The InChIKey is UZKFGROFGOQFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4S2/c1-2-5-11(6-3-1)14-16-15(21-18-14)19-9-8-12(17-19)13-7-4-10-20-13/h1-10H.
What are the key properties of 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole?
3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole has a molecular weight of 310.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(3-thiophen-2-ylpyrazol-1-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 2796014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).