N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine

C10H15N5OS — CID 81345922

IUPACN-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(Oc2cc(C)nn2C)s1
InChIInChI=1S/C10H15N5OS/c1-4-11-6-8-12-13-10(17-8)16-9-5-7(2)14-15(9)3/h5,11H,4,6H2,1-3H3
InChIKeyFALALNVRTGRYPY-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.48
Rot. Bonds5

About N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine

N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine (PubChem CID 81345922) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine
PubChem CID81345922
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC NameN-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine
SMILESCCNCc1nnc(Oc2cc(C)nn2C)s1
InChIInChI=1S/C10H15N5OS/c1-4-11-6-8-12-13-10(17-8)16-9-5-7(2)14-15(9)3/h5,11H,4,6H2,1-3H3
InChIKeyFALALNVRTGRYPY-UHFFFAOYSA-N
XLogP1.48
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine (CID 81345922) is N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine is CCNCc1nnc(Oc2cc(C)nn2C)s1.
What is the InChIKey of N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
The InChIKey is FALALNVRTGRYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-4-11-6-8-12-13-10(17-8)16-9-5-7(2)14-15(9)3/h5,11H,4,6H2,1-3H3.
What are the key properties of N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine?
N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine has a molecular weight of 253.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dimethylpyrazol-3-yl)oxy-1,3,4-thiadiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 81345922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).