N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine

C8H11N5S — CID 65269150

IUPACN-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C8H11N5S/c1-3-9-8-11-7(12-14-8)6-4-10-13(2)5-6/h4-5H,3H2,1-2H3,(H,9,11,12)
InChIKeySOZWGLXWFIZXOE-UHFFFAOYSA-N
MW209.28 g/mol
LogP1.37
Rot. Bonds3

About N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine

N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269150) has the molecular formula C8H11N5S and a molecular weight of 209.28 g/mol. Its IUPAC name is N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65269150
Molecular FormulaC8H11N5S
Molecular Weight209.28 g/mol
Exact Mass209.07
IUPAC NameN-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C8H11N5S/c1-3-9-8-11-7(12-14-8)6-4-10-13(2)5-6/h4-5H,3H2,1-2H3,(H,9,11,12)
InChIKeySOZWGLXWFIZXOE-UHFFFAOYSA-N
XLogP1.37
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine (CID 65269150) is N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2cnn(C)c2)ns1.
What is the InChIKey of N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SOZWGLXWFIZXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S/c1-3-9-8-11-7(12-14-8)6-4-10-13(2)5-6/h4-5H,3H2,1-2H3,(H,9,11,12).
What are the key properties of N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine?
N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 209.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).