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

C15H12N6OS — CID 86815203

IUPACN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1cncc(-c2[nH]ncc2CNc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C15H12N6OS/c1-3-10(7-16-5-1)13-11(9-18-19-13)8-17-15-21-20-14(22-15)12-4-2-6-23-12/h1-7,9H,8H2,(H,17,21)(H,18,19)
InChIKeyGGSIRFSQVQJHKJ-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.20
Rot. Bonds5

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

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 86815203) has the molecular formula C15H12N6OS and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID86815203
Molecular FormulaC15H12N6OS
Molecular Weight324.37 g/mol
Exact Mass324.08
IUPAC NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESc1cncc(-c2[nH]ncc2CNc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C15H12N6OS/c1-3-10(7-16-5-1)13-11(9-18-19-13)8-17-15-21-20-14(22-15)12-4-2-6-23-12/h1-7,9H,8H2,(H,17,21)(H,18,19)
InChIKeyGGSIRFSQVQJHKJ-UHFFFAOYSA-N
XLogP3.20
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 86815203) is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is c1cncc(-c2[nH]ncc2CNc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is GGSIRFSQVQJHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6OS/c1-3-10(7-16-5-1)13-11(9-18-19-13)8-17-15-21-20-14(22-15)12-4-2-6-23-12/h1-7,9H,8H2,(H,17,21)(H,18,19).
What are the key properties of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 324.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86815203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).