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

C12H13N5OS — CID 75521989

IUPACN-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccsc1-c1nnc(NCc2ccnn2C)o1
InChIInChI=1S/C12H13N5OS/c1-8-4-6-19-10(8)11-15-16-12(18-11)13-7-9-3-5-14-17(9)2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyZYZHUZIBXMIFON-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.45
Rot. Bonds4

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

N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 75521989) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine
PubChem CID75521989
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine
SMILESCc1ccsc1-c1nnc(NCc2ccnn2C)o1
InChIInChI=1S/C12H13N5OS/c1-8-4-6-19-10(8)11-15-16-12(18-11)13-7-9-3-5-14-17(9)2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyZYZHUZIBXMIFON-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-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine (CID 75521989) is N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine is Cc1ccsc1-c1nnc(NCc2ccnn2C)o1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is ZYZHUZIBXMIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-8-4-6-19-10(8)11-15-16-12(18-11)13-7-9-3-5-14-17(9)2/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine?
N-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-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-[(2-methylpyrazol-3-yl)methyl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75521989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).