3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

C10H15N3O2S2 — CID 4234570

IUPAC3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nnc(SCCC(=O)N2CCOCC2)s1
InChIInChI=1S/C10H15N3O2S2/c1-8-11-12-10(17-8)16-7-2-9(14)13-3-5-15-6-4-13/h2-7H2,1H3
InChIKeyCZZTXBGENQBVOE-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.19
Rot. Bonds4

About 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one

3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (PubChem CID 4234570) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
PubChem CID4234570
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC Name3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nnc(SCCC(=O)N2CCOCC2)s1
InChIInChI=1S/C10H15N3O2S2/c1-8-11-12-10(17-8)16-7-2-9(14)13-3-5-15-6-4-13/h2-7H2,1H3
InChIKeyCZZTXBGENQBVOE-UHFFFAOYSA-N
XLogP1.19
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one (CID 4234570) is 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is Cc1nnc(SCCC(=O)N2CCOCC2)s1.
What is the InChIKey of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is CZZTXBGENQBVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-8-11-12-10(17-8)16-7-2-9(14)13-3-5-15-6-4-13/h2-7H2,1H3.
What are the key properties of 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one?
3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 273.38 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 4234570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).