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

C7H11N3S2 — CID 130678546

IUPAC3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC1CSCCN1c1ncns1
InChIInChI=1S/C7H11N3S2/c1-6-4-11-3-2-10(6)7-8-5-9-12-7/h5-6H,2-4H2,1H3
InChIKeyMIWNZLZOQMGNQL-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.48
Rot. Bonds1

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

3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 130678546) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID130678546
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC1CSCCN1c1ncns1
InChIInChI=1S/C7H11N3S2/c1-6-4-11-3-2-10(6)7-8-5-9-12-7/h5-6H,2-4H2,1H3
InChIKeyMIWNZLZOQMGNQL-UHFFFAOYSA-N
XLogP1.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,2,4-Thiadiazol-5-yl)thiomorpholine
CID 89385910
5-(3-Methylthiomorpholino)-1,2,4-thiadiazol-3-amine
CID 66278592
5-(2,3-Dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 116399001
2,2-Dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 130621031
4-(1,2,4-Thiadiazol-5-yl)-1,4-thiazepane
CID 130667830
2-Ethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 130708321
N-methyl-N-(thian-3-yl)-1,2,4-thiadiazol-5-amine
CID 130725580
3-(Chloromethyl)-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 130909157
2-Methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
CID 131132017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (CID 130678546) is 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is CC1CSCCN1c1ncns1.
What is the InChIKey of 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is MIWNZLZOQMGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-6-4-11-3-2-10(6)7-8-5-9-12-7/h5-6H,2-4H2,1H3.
What are the key properties of 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 201.32 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 130678546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).