N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

C16H14N6OS — CID 75505676

IUPACN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCn1cc(CNc2nnc(-c3cccs3)o2)c(-c2cccnc2)n1
InChIInChI=1S/C16H14N6OS/c1-22-10-12(14(21-22)11-4-2-6-17-8-11)9-18-16-20-19-15(23-16)13-5-3-7-24-13/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyUFZPSHZLPUTMFJ-UHFFFAOYSA-N
MW338.40 g/mol
LogP3.21
Rot. Bonds5

About N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 75505676) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID75505676
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCn1cc(CNc2nnc(-c3cccs3)o2)c(-c2cccnc2)n1
InChIInChI=1S/C16H14N6OS/c1-22-10-12(14(21-22)11-4-2-6-17-8-11)9-18-16-20-19-15(23-16)13-5-3-7-24-13/h2-8,10H,9H2,1H3,(H,18,20)
InChIKeyUFZPSHZLPUTMFJ-UHFFFAOYSA-N
XLogP3.21
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 75505676) is N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Cn1cc(CNc2nnc(-c3cccs3)o2)c(-c2cccnc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is UFZPSHZLPUTMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-22-10-12(14(21-22)11-4-2-6-17-8-11)9-18-16-20-19-15(23-16)13-5-3-7-24-13/h2-8,10H,9H2,1H3,(H,18,20).
What are the key properties of N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 338.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75505676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).