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

C7H11N3S2 — CID 131132017

IUPAC2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC1CN(c2ncns2)CCS1
InChIInChI=1S/C7H11N3S2/c1-6-4-10(2-3-11-6)7-8-5-9-12-7/h5-6H,2-4H2,1H3
InChIKeyHKZRDSXNBZUNIF-UHFFFAOYSA-N
MW201.32 g/mol
LogP1.48
Rot. Bonds1

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

2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 131132017) has the molecular formula C7H11N3S2 and a molecular weight of 201.32 g/mol. Its IUPAC name is 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID131132017
Molecular FormulaC7H11N3S2
Molecular Weight201.32 g/mol
Exact Mass201.04
IUPAC Name2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCC1CN(c2ncns2)CCS1
InChIInChI=1S/C7H11N3S2/c1-6-4-10(2-3-11-6)7-8-5-9-12-7/h5-6H,2-4H2,1H3
InChIKeyHKZRDSXNBZUNIF-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine (CID 131132017) is 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is CC1CN(c2ncns2)CCS1.
What is the InChIKey of 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is HKZRDSXNBZUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S2/c1-6-4-10(2-3-11-6)7-8-5-9-12-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine?
2-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 2-methyl-4-(1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 131132017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).