N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine

C8H9N5S — CID 61037157

IUPACN-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cnccn2)s1
InChIInChI=1S/C8H9N5S/c1-2-10-8-13-12-7(14-8)6-5-9-3-4-11-6/h3-5H,2H2,1H3,(H,10,13)
InChIKeyFJJABYFDYUVLEE-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.43
Rot. Bonds3

About N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine

N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 61037157) has the molecular formula C8H9N5S and a molecular weight of 207.26 g/mol. Its IUPAC name is N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID61037157
Molecular FormulaC8H9N5S
Molecular Weight207.26 g/mol
Exact Mass207.06
IUPAC NameN-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(-c2cnccn2)s1
InChIInChI=1S/C8H9N5S/c1-2-10-8-13-12-7(14-8)6-5-9-3-4-11-6/h3-5H,2H2,1H3,(H,10,13)
InChIKeyFJJABYFDYUVLEE-UHFFFAOYSA-N
XLogP1.43
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine (CID 61037157) is N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine is CCNc1nnc(-c2cnccn2)s1.
What is the InChIKey of N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is FJJABYFDYUVLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5S/c1-2-10-8-13-12-7(14-8)6-5-9-3-4-11-6/h3-5H,2H2,1H3,(H,10,13).
What are the key properties of N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 207.26 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-pyrazin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 61037157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).