4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

C15H21N5O2S2 — CID 1170111

IUPAC4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESCc1cc(C)nc(SCc2nnc(SCCN3CCOCC3)o2)n1
InChIInChI=1S/C15H21N5O2S2/c1-11-9-12(2)17-14(16-11)24-10-13-18-19-15(22-13)23-8-5-20-3-6-21-7-4-20/h9H,3-8,10H2,1-2H3
InChIKeyANHBUQJZXLXMHI-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.19
Rot. Bonds7

About 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine

4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (PubChem CID 1170111) has the molecular formula C15H21N5O2S2 and a molecular weight of 367.50 g/mol. Its IUPAC name is 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
PubChem CID1170111
Molecular FormulaC15H21N5O2S2
Molecular Weight367.50 g/mol
Exact Mass367.11
IUPAC Name4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine
SMILESCc1cc(C)nc(SCc2nnc(SCCN3CCOCC3)o2)n1
InChIInChI=1S/C15H21N5O2S2/c1-11-9-12(2)17-14(16-11)24-10-13-18-19-15(22-13)23-8-5-20-3-6-21-7-4-20/h9H,3-8,10H2,1-2H3
InChIKeyANHBUQJZXLXMHI-UHFFFAOYSA-N
XLogP2.19
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The IUPAC name of 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine (CID 1170111) is 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is Cc1cc(C)nc(SCc2nnc(SCCN3CCOCC3)o2)n1.
What is the InChIKey of 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
The InChIKey is ANHBUQJZXLXMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S2/c1-11-9-12(2)17-14(16-11)24-10-13-18-19-15(22-13)23-8-5-20-3-6-21-7-4-20/h9H,3-8,10H2,1-2H3.
What are the key properties of 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine?
4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine has a molecular weight of 367.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]morpholine is sourced from PubChem (CID 1170111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).