2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine

C5H8ClN3S2 — CID 43249549

IUPAC2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine
SMILESNCCSCc1nnsc1Cl
InChIInChI=1S/C5H8ClN3S2/c6-5-4(8-9-11-5)3-10-2-1-7/h1-3,7H2
InChIKeyUBGMQRLYKGLNKC-UHFFFAOYSA-N
MW209.73 g/mol
LogP1.38
Rot. Bonds4

About 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine

2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine (PubChem CID 43249549) has the molecular formula C5H8ClN3S2 and a molecular weight of 209.73 g/mol. Its IUPAC name is 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine
PubChem CID43249549
Molecular FormulaC5H8ClN3S2
Molecular Weight209.73 g/mol
Exact Mass208.98
IUPAC Name2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine
SMILESNCCSCc1nnsc1Cl
InChIInChI=1S/C5H8ClN3S2/c6-5-4(8-9-11-5)3-10-2-1-7/h1-3,7H2
InChIKeyUBGMQRLYKGLNKC-UHFFFAOYSA-N
XLogP1.38
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.73
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine?
The IUPAC name of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine (CID 43249549) is 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine.
What is the SMILES notation for 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine?
The canonical SMILES for 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine is NCCSCc1nnsc1Cl.
What is the InChIKey of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine?
The InChIKey is UBGMQRLYKGLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S2/c6-5-4(8-9-11-5)3-10-2-1-7/h1-3,7H2.
What are the key properties of 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine?
2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine has a molecular weight of 209.73 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiadiazol-4-yl)methylsulfanyl]ethanamine is sourced from PubChem (CID 43249549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).