4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine

C8H13N3S2 — CID 71925334

IUPAC4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCCc1nsc(N2CCSCC2)n1
InChIInChI=1S/C8H13N3S2/c1-2-7-9-8(13-10-7)11-3-5-12-6-4-11/h2-6H2,1H3
InChIKeyLATAQBAKJIAZNE-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.65
Rot. Bonds2

About 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine

4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 71925334) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID71925334
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCCc1nsc(N2CCSCC2)n1
InChIInChI=1S/C8H13N3S2/c1-2-7-9-8(13-10-7)11-3-5-12-6-4-11/h2-6H2,1H3
InChIKeyLATAQBAKJIAZNE-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71858349
4-(3-Propan-2-yl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 71866341
4-(3-Cyclopropyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71925335
2,2-Dimethyl-4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-1,4-thiazinane 1,1-dioxide
CID 71854939
2,3-Dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-YL)thiomorpholine
CID 71871068
4-(3-Methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 58792113
4-[3-(Hydroxysulfanylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
CID 71100367
3-Ethyl-5-piperidin-1-yl-1,2,4-thiadiazole
CID 90745409
4-[3-(Methylsulfonylmethyl)-1,2,4-thiadiazol-5-yl]thiomorpholine
CID 143035852
[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl pyrrolidine-1-carbodithioate
CID 41539484
1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl pyrrolidine-1-carbodithioate
CID 51279945
4-(3-Ethyl-1,2,4-thiadiazol-5-yl)-2,2-dimethyl-1,4-thiazinane 1,1-dioxide
CID 71971599

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 71925334) is 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine is CCc1nsc(N2CCSCC2)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is LATAQBAKJIAZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-2-7-9-8(13-10-7)11-3-5-12-6-4-11/h2-6H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 215.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 71925334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).