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

C9H13N3O2S2 — CID 673914

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C9H13N3O2S2/c1-7-10-11-9(16-7)15-6-8(13)12-2-4-14-5-3-12/h2-6H2,1H3
InChIKeyWCMWFDWDRJFPBG-UHFFFAOYSA-N
MW259.36 g/mol
LogP0.80
Rot. Bonds3

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

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone (PubChem CID 673914) has the molecular formula C9H13N3O2S2 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
PubChem CID673914
Molecular FormulaC9H13N3O2S2
Molecular Weight259.36 g/mol
Exact Mass259.04
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone
SMILESCc1nnc(SCC(=O)N2CCOCC2)s1
InChIInChI=1S/C9H13N3O2S2/c1-7-10-11-9(16-7)15-6-8(13)12-2-4-14-5-3-12/h2-6H2,1H3
InChIKeyWCMWFDWDRJFPBG-UHFFFAOYSA-N
XLogP0.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone (CID 673914) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone is Cc1nnc(SCC(=O)N2CCOCC2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
The InChIKey is WCMWFDWDRJFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S2/c1-7-10-11-9(16-7)15-6-8(13)12-2-4-14-5-3-12/h2-6H2,1H3.
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone has a molecular weight of 259.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 673914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).