5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine

C10H12N4S — CID 50994744

IUPAC5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESNCCc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4S/c11-6-5-7-1-3-8(4-2-7)9-13-14-10(12)15-9/h1-4H,5-6,11H2,(H2,12,14)
InChIKeyOSWFLPCAJAUNQQ-UHFFFAOYSA-N
MW220.30 g/mol
LogP1.29
Rot. Bonds3

About 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine

5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine (PubChem CID 50994744) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine
PubChem CID50994744
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine
SMILESNCCc1ccc(-c2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4S/c11-6-5-7-1-3-8(4-2-7)9-13-14-10(12)15-9/h1-4H,5-6,11H2,(H2,12,14)
InChIKeyOSWFLPCAJAUNQQ-UHFFFAOYSA-N
XLogP1.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine (CID 50994744) is 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine is NCCc1ccc(-c2nnc(N)s2)cc1.
What is the InChIKey of 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is OSWFLPCAJAUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c11-6-5-7-1-3-8(4-2-7)9-13-14-10(12)15-9/h1-4H,5-6,11H2,(H2,12,14).
What are the key properties of 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine?
5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 220.30 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 50994744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).