2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine

C8H13N3S2 — CID 130708321

IUPAC2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCCC1CN(c2ncns2)CCS1
InChIInChI=1S/C8H13N3S2/c1-2-7-5-11(3-4-12-7)8-9-6-10-13-8/h6-7H,2-5H2,1H3
InChIKeyVFDQVSUTTDKFOV-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.87
Rot. Bonds2

About 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine

2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 130708321) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID130708321
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCCC1CN(c2ncns2)CCS1
InChIInChI=1S/C8H13N3S2/c1-2-7-5-11(3-4-12-7)8-9-6-10-13-8/h6-7H,2-5H2,1H3
InChIKeyVFDQVSUTTDKFOV-UHFFFAOYSA-N
XLogP1.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (CID 130708321) is 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is CCC1CN(c2ncns2)CCS1.
What is the InChIKey of 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is VFDQVSUTTDKFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-7-5-11(3-4-12-7)8-9-6-10-13-8/h6-7H,2-5H2,1H3.
What are the key properties of 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 215.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 130708321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).