2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C14H14N4O2S2 — CID 133379346

IUPAC2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(c2nn3c(=O)ccnc3s2)CC(c2ccsc2)O1
InChIInChI=1S/C14H14N4O2S2/c1-9-6-17(7-11(20-9)10-3-5-21-8-10)14-16-18-12(19)2-4-15-13(18)22-14/h2-5,8-9,11H,6-7H2,1H3
InChIKeyWEFYDVBPFOFDCB-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.18
Rot. Bonds2

About 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133379346) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID133379346
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCC1CN(c2nn3c(=O)ccnc3s2)CC(c2ccsc2)O1
InChIInChI=1S/C14H14N4O2S2/c1-9-6-17(7-11(20-9)10-3-5-21-8-10)14-16-18-12(19)2-4-15-13(18)22-14/h2-5,8-9,11H,6-7H2,1H3
InChIKeyWEFYDVBPFOFDCB-UHFFFAOYSA-N
XLogP2.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 133379346) is 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is CC1CN(c2nn3c(=O)ccnc3s2)CC(c2ccsc2)O1.
What is the InChIKey of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WEFYDVBPFOFDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-9-6-17(7-11(20-9)10-3-5-21-8-10)14-16-18-12(19)2-4-15-13(18)22-14/h2-5,8-9,11H,6-7H2,1H3.
What are the key properties of 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 334.43 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133379346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).