4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine

C11H17N3O2S2 — CID 95220434

IUPAC4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
SMILESC1CO[C@H](CSc2nnc(N3CCOCC3)s2)C1
InChIInChI=1S/C11H17N3O2S2/c1-2-9(16-5-1)8-17-11-13-12-10(18-11)14-3-6-15-7-4-14/h9H,1-8H2/t9-/m0/s1
InChIKeyHBQFMIHFJUTJCC-VIFPVBQESA-N
MW287.41 g/mol
LogP1.65
Rot. Bonds4

About 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine

4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine (PubChem CID 95220434) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
PubChem CID95220434
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC Name4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine
SMILESC1CO[C@H](CSc2nnc(N3CCOCC3)s2)C1
InChIInChI=1S/C11H17N3O2S2/c1-2-9(16-5-1)8-17-11-13-12-10(18-11)14-3-6-15-7-4-14/h9H,1-8H2/t9-/m0/s1
InChIKeyHBQFMIHFJUTJCC-VIFPVBQESA-N
XLogP1.65
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[5-(oxan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 42902948
4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 130636649
N-cyclohexyl-5-[[(2R)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 40626052
N-(4-methylphenyl)-5-(oxolan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 78609816
5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
5-[[(2R)-oxan-2-yl]methylsulfanyl]-N-prop-2-enyl-1,3,4-thiadiazol-2-amine
CID 51923364
N-[(4-fluorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 40843550
2-[[5-[[(2S)-oxan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 9376469
4-(5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)morpholine
CID 133291466
5-[[(3R)-1-methylpiperidin-3-yl]methylsulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 124813826
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 41210408
2-[(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 47405314

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine (CID 95220434) is 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine is C1CO[C@H](CSc2nnc(N3CCOCC3)s2)C1.
What is the InChIKey of 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
The InChIKey is HBQFMIHFJUTJCC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-2-9(16-5-1)8-17-11-13-12-10(18-11)14-3-6-15-7-4-14/h9H,1-8H2/t9-/m0/s1.
What are the key properties of 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine?
4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine has a molecular weight of 287.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[(2S)-oxolan-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]morpholine is sourced from PubChem (CID 95220434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).