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

C5H10N4S — CID 10080636

IUPAC5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine
SMILESNCCCc1nnc(N)s1
InChIInChI=1S/C5H10N4S/c6-3-1-2-4-8-9-5(7)10-4/h1-3,6H2,(H2,7,9)
InChIKeyRHIXDKZVUOGAJU-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.01
Rot. Bonds3

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

5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 10080636) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine
PubChem CID10080636
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine
SMILESNCCCc1nnc(N)s1
InChIInChI=1S/C5H10N4S/c6-3-1-2-4-8-9-5(7)10-4/h1-3,6H2,(H2,7,9)
InChIKeyRHIXDKZVUOGAJU-UHFFFAOYSA-N
XLogP0.01
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine (CID 10080636) is 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine is NCCCc1nnc(N)s1.
What is the InChIKey of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is RHIXDKZVUOGAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c6-3-1-2-4-8-9-5(7)10-4/h1-3,6H2,(H2,7,9).
What are the key properties of 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine?
5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 158.23 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 10080636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).