2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

C8H15N3OS2 — CID 64805793

IUPAC2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCCNC(CO)CCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-2-9-7(5-12)3-4-13-8-11-10-6-14-8/h6-7,9,12H,2-5H2,1H3
InChIKeyWWAJJMNBHQIENL-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.99
Rot. Bonds7

About 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol

2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (PubChem CID 64805793) has the molecular formula C8H15N3OS2 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
PubChem CID64805793
Molecular FormulaC8H15N3OS2
Molecular Weight233.36 g/mol
Exact Mass233.07
IUPAC Name2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol
SMILESCCNC(CO)CCSc1nncs1
InChIInChI=1S/C8H15N3OS2/c1-2-9-7(5-12)3-4-13-8-11-10-6-14-8/h6-7,9,12H,2-5H2,1H3
InChIKeyWWAJJMNBHQIENL-UHFFFAOYSA-N
XLogP0.99
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol (CID 64805793) is 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is CCNC(CO)CCSc1nncs1.
What is the InChIKey of 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
The InChIKey is WWAJJMNBHQIENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS2/c1-2-9-7(5-12)3-4-13-8-11-10-6-14-8/h6-7,9,12H,2-5H2,1H3.
What are the key properties of 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol?
2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)butan-1-ol is sourced from PubChem (CID 64805793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).