5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine

C11H9N5S — CID 11053857

IUPAC5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cc(-c3ccccc3)n[nH]2)s1
InChIInChI=1S/C11H9N5S/c12-11-16-15-10(17-11)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,16)(H,13,14)
InChIKeyCJDWZANNHJSUFH-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.18
Rot. Bonds2

About 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine

5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 11053857) has the molecular formula C11H9N5S and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
PubChem CID11053857
Molecular FormulaC11H9N5S
Molecular Weight243.30 g/mol
Exact Mass243.06
IUPAC Name5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cc(-c3ccccc3)n[nH]2)s1
InChIInChI=1S/C11H9N5S/c12-11-16-15-10(17-11)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,16)(H,13,14)
InChIKeyCJDWZANNHJSUFH-UHFFFAOYSA-N
XLogP2.18
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine (CID 11053857) is 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cc(-c3ccccc3)n[nH]2)s1.
What is the InChIKey of 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is CJDWZANNHJSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5S/c12-11-16-15-10(17-11)9-6-8(13-14-9)7-4-2-1-3-5-7/h1-6H,(H2,12,16)(H,13,14).
What are the key properties of 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine?
5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 243.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-1H-pyrazol-5-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11053857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).