[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol

C9H15N3O2S — CID 79839433

IUPAC[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
SMILESCCc1nsc(N2CCOC(CO)C2)n1
InChIInChI=1S/C9H15N3O2S/c1-2-8-10-9(15-11-8)12-3-4-14-7(5-12)6-13/h7,13H,2-6H2,1H3
InChIKeyGKBSQQWWGIZWQQ-UHFFFAOYSA-N
MW229.30 g/mol
LogP0.30
Rot. Bonds3

About [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol

[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol (PubChem CID 79839433) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
PubChem CID79839433
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol
SMILESCCc1nsc(N2CCOC(CO)C2)n1
InChIInChI=1S/C9H15N3O2S/c1-2-8-10-9(15-11-8)12-3-4-14-7(5-12)6-13/h7,13H,2-6H2,1H3
InChIKeyGKBSQQWWGIZWQQ-UHFFFAOYSA-N
XLogP0.30
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
The IUPAC name of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol (CID 79839433) is [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol is CCc1nsc(N2CCOC(CO)C2)n1.
What is the InChIKey of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
The InChIKey is GKBSQQWWGIZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-8-10-9(15-11-8)12-3-4-14-7(5-12)6-13/h7,13H,2-6H2,1H3.
What are the key properties of [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol?
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol has a molecular weight of 229.30 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethyl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 79839433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).