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

C4H8N4S — CID 11819180

IUPAC5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine
SMILESNCCc1nnc(N)s1
InChIInChI=1S/C4H8N4S/c5-2-1-3-7-8-4(6)9-3/h1-2,5H2,(H2,6,8)
InChIKeyKDOVSXBAMVUMHK-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.38
Rot. Bonds2

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

5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 11819180) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine
PubChem CID11819180
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine
SMILESNCCc1nnc(N)s1
InChIInChI=1S/C4H8N4S/c5-2-1-3-7-8-4(6)9-3/h1-2,5H2,(H2,6,8)
InChIKeyKDOVSXBAMVUMHK-UHFFFAOYSA-N
XLogP-0.38
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine (CID 11819180) is 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine is NCCc1nnc(N)s1.
What is the InChIKey of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KDOVSXBAMVUMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c5-2-1-3-7-8-4(6)9-3/h1-2,5H2,(H2,6,8).
What are the key properties of 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine?
5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 144.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11819180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).