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

C7H13N3OS2 — CID 43166403

IUPAC1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCCNCC(O)CSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-2-8-3-6(11)4-12-7-10-9-5-13-7/h5-6,8,11H,2-4H2,1H3
InChIKeyYUNUQWIXKQTFMG-UHFFFAOYSA-N
MW219.33 g/mol
LogP0.60
Rot. Bonds6

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

1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (PubChem CID 43166403) has the molecular formula C7H13N3OS2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
PubChem CID43166403
Molecular FormulaC7H13N3OS2
Molecular Weight219.33 g/mol
Exact Mass219.05
IUPAC Name1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol
SMILESCCNCC(O)CSc1nncs1
InChIInChI=1S/C7H13N3OS2/c1-2-8-3-6(11)4-12-7-10-9-5-13-7/h5-6,8,11H,2-4H2,1H3
InChIKeyYUNUQWIXKQTFMG-UHFFFAOYSA-N
XLogP0.60
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol (CID 43166403) is 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is CCNCC(O)CSc1nncs1.
What is the InChIKey of 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is YUNUQWIXKQTFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-2-8-3-6(11)4-12-7-10-9-5-13-7/h5-6,8,11H,2-4H2,1H3.
What are the key properties of 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol?
1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 43166403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).