methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate

C8H11N3O3S — CID 104775227

IUPACmethyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncns1
InChIInChI=1S/C8H11N3O3S/c1-13-7(12)6-4-14-3-2-11(6)8-9-5-10-15-8/h5-6H,2-4H2,1H3
InChIKeyCVNNCGNMEWZDMT-UHFFFAOYSA-N
MW229.26 g/mol
LogP-0.08
Rot. Bonds2

About methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate

methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate (PubChem CID 104775227) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate
PubChem CID104775227
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Namemethyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1ncns1
InChIInChI=1S/C8H11N3O3S/c1-13-7(12)6-4-14-3-2-11(6)8-9-5-10-15-8/h5-6H,2-4H2,1H3
InChIKeyCVNNCGNMEWZDMT-UHFFFAOYSA-N
XLogP-0.08
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate (CID 104775227) is methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate is COC(=O)C1COCCN1c1ncns1.
What is the InChIKey of methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate?
The InChIKey is CVNNCGNMEWZDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c1-13-7(12)6-4-14-3-2-11(6)8-9-5-10-15-8/h5-6H,2-4H2,1H3.
What are the key properties of methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate?
methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate has a molecular weight of 229.26 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1,2,4-thiadiazol-5-yl)morpholine-3-carboxylate is sourced from PubChem (CID 104775227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).