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

C12H13N5OS — CID 86790694

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1n[nH]c(C)c1CNc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H13N5OS/c1-7-9(8(2)15-14-7)6-13-12-17-16-11(18-12)10-4-3-5-19-10/h3-5H,6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyQZXZKHCCUPYSEE-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.75
Rot. Bonds4

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 86790694) has the molecular formula C12H13N5OS and a molecular weight of 275.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID86790694
Molecular FormulaC12H13N5OS
Molecular Weight275.34 g/mol
Exact Mass275.08
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1n[nH]c(C)c1CNc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H13N5OS/c1-7-9(8(2)15-14-7)6-13-12-17-16-11(18-12)10-4-3-5-19-10/h3-5H,6H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyQZXZKHCCUPYSEE-UHFFFAOYSA-N
XLogP2.75
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine (CID 86790694) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is Cc1n[nH]c(C)c1CNc1nnc(-c2cccs2)o1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is QZXZKHCCUPYSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS/c1-7-9(8(2)15-14-7)6-13-12-17-16-11(18-12)10-4-3-5-19-10/h3-5H,6H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 275.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 86790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).