N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine

C22H16N6S — CID 155813034

IUPACN-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3cc(-c4cccnc4)n(-c4ccccc4)n3)s2)cc1
InChIInChI=1S/C22H16N6S/c1-3-9-17(10-4-1)24-22-26-25-21(29-22)19-14-20(16-8-7-13-23-15-16)28(27-19)18-11-5-2-6-12-18/h1-15H,(H,24,26)
InChIKeyUPCVKXZWZFEEHG-UHFFFAOYSA-N
MW396.48 g/mol
LogP5.20
Rot. Bonds5

About N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine

N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 155813034) has the molecular formula C22H16N6S and a molecular weight of 396.48 g/mol. Its IUPAC name is N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
PubChem CID155813034
Molecular FormulaC22H16N6S
Molecular Weight396.48 g/mol
Exact Mass396.12
IUPAC NameN-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(Nc2nnc(-c3cc(-c4cccnc4)n(-c4ccccc4)n3)s2)cc1
InChIInChI=1S/C22H16N6S/c1-3-9-17(10-4-1)24-22-26-25-21(29-22)19-14-20(16-8-7-13-23-15-16)28(27-19)18-11-5-2-6-12-18/h1-15H,(H,24,26)
InChIKeyUPCVKXZWZFEEHG-UHFFFAOYSA-N
XLogP5.20
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine (CID 155813034) is N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is c1ccc(Nc2nnc(-c3cc(-c4cccnc4)n(-c4ccccc4)n3)s2)cc1.
What is the InChIKey of N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is UPCVKXZWZFEEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6S/c1-3-9-17(10-4-1)24-22-26-25-21(29-22)19-14-20(16-8-7-13-23-15-16)28(27-19)18-11-5-2-6-12-18/h1-15H,(H,24,26).
What are the key properties of N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine?
N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 396.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155813034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).