2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol

C6H11N3OS2 — CID 9379511

IUPAC2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESCCNc1nnc(SCCO)s1
InChIInChI=1S/C6H11N3OS2/c1-2-7-5-8-9-6(12-5)11-4-3-10/h10H,2-4H2,1H3,(H,7,8)
InChIKeyORKUALUSVDQOFW-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.05
Rot. Bonds5

About 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol

2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (PubChem CID 9379511) has the molecular formula C6H11N3OS2 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
PubChem CID9379511
Molecular FormulaC6H11N3OS2
Molecular Weight205.31 g/mol
Exact Mass205.03
IUPAC Name2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol
SMILESCCNc1nnc(SCCO)s1
InChIInChI=1S/C6H11N3OS2/c1-2-7-5-8-9-6(12-5)11-4-3-10/h10H,2-4H2,1H3,(H,7,8)
InChIKeyORKUALUSVDQOFW-UHFFFAOYSA-N
XLogP1.05
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol (CID 9379511) is 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is CCNc1nnc(SCCO)s1.
What is the InChIKey of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
The InChIKey is ORKUALUSVDQOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3OS2/c1-2-7-5-8-9-6(12-5)11-4-3-10/h10H,2-4H2,1H3,(H,7,8).
What are the key properties of 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol?
2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol has a molecular weight of 205.31 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanol is sourced from PubChem (CID 9379511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).