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

C8H13N3S2 — CID 130621031

IUPAC2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC1(C)CN(c2ncns2)CCS1
InChIInChI=1S/C8H13N3S2/c1-8(2)5-11(3-4-12-8)7-9-6-10-13-7/h6H,3-5H2,1-2H3
InChIKeyBMEPMPYVCHJTME-UHFFFAOYSA-N
MW215.35 g/mol
LogP1.87
Rot. Bonds1

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

2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 130621031) has the molecular formula C8H13N3S2 and a molecular weight of 215.35 g/mol. Its IUPAC name is 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID130621031
Molecular FormulaC8H13N3S2
Molecular Weight215.35 g/mol
Exact Mass215.06
IUPAC Name2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC1(C)CN(c2ncns2)CCS1
InChIInChI=1S/C8H13N3S2/c1-8(2)5-11(3-4-12-8)7-9-6-10-13-7/h6H,3-5H2,1-2H3
InChIKeyBMEPMPYVCHJTME-UHFFFAOYSA-N
XLogP1.87
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
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

Analyze 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (CID 130621031) is 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is CC1(C)CN(c2ncns2)CCS1.
What is the InChIKey of 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is BMEPMPYVCHJTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S2/c1-8(2)5-11(3-4-12-8)7-9-6-10-13-7/h6H,3-5H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 215.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 130621031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).