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

C12H13N5OS — CID 86790700

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1c(CNc2nnc(-c3cccs3)o2)cnn1C
InChIInChI=1S/C12H13N5OS/c1-8-9(7-14-17(8)2)6-13-12-16-15-11(18-12)10-4-3-5-19-10/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyQYPMXAPOCDHIQJ-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.45
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 86790700) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID86790700
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1c(CNc2nnc(-c3cccs3)o2)cnn1C
InChIInChI=1S/C12H13N5OS/c1-8-9(7-14-17(8)2)6-13-12-16-15-11(18-12)10-4-3-5-19-10/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyQYPMXAPOCDHIQJ-UHFFFAOYSA-N
XLogP2.45
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 86790700) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Cc1c(CNc2nnc(-c3cccs3)o2)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is QYPMXAPOCDHIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-8-9(7-14-17(8)2)6-13-12-16-15-11(18-12)10-4-3-5-19-10/h3-5,7H,6H2,1-2H3,(H,13,16).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 275.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).