N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine

C10H11N3S — CID 12725098

IUPACN-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H11N3S/c1-2-11-10-12-9(13-14-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12,13)
InChIKeyOHZGPFLYXAJITG-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.64
Rot. Bonds3

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

N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 12725098) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID12725098
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC NameN-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCCNc1nc(-c2ccccc2)ns1
InChIInChI=1S/C10H11N3S/c1-2-11-10-12-9(13-14-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12,13)
InChIKeyOHZGPFLYXAJITG-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine (CID 12725098) is N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine is CCNc1nc(-c2ccccc2)ns1.
What is the InChIKey of N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OHZGPFLYXAJITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c1-2-11-10-12-9(13-14-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,12,13).
What are the key properties of N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine?
N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 205.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 12725098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).