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

C9H13N3O3S — CID 79034249

IUPACmethyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(C)ns2)CCO1
InChIInChI=1S/C9H13N3O3S/c1-6-10-9(16-11-6)12-3-4-15-7(5-12)8(13)14-2/h7H,3-5H2,1-2H3
InChIKeySGDCPQJPAZPVGM-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.22
Rot. Bonds2

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

methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate (PubChem CID 79034249) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate
PubChem CID79034249
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Namemethyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2nc(C)ns2)CCO1
InChIInChI=1S/C9H13N3O3S/c1-6-10-9(16-11-6)12-3-4-15-7(5-12)8(13)14-2/h7H,3-5H2,1-2H3
InChIKeySGDCPQJPAZPVGM-UHFFFAOYSA-N
XLogP0.22
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine-2-carboxylate
CID 115538567
methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
CID 79839516
methyl 4-quinolin-2-ylmorpholine-2-carboxylate
CID 78926263
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-morpholin-2-ylmethanone
CID 119894256
methyl 4-pyrimidin-4-ylmorpholine-2-carboxylate
CID 115538521
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
CID 81005732
methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
CID 78995503
tert-butyl N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]carbamate
CID 133320499
(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
CID 163346041
methyl 4-(4-amino-2-pyridinyl)morpholine-2-carboxylate
CID 114053213
[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434757
1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133328044

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate (CID 79034249) is methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate is COC(=O)C1CN(c2nc(C)ns2)CCO1.
What is the InChIKey of methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate?
The InChIKey is SGDCPQJPAZPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-6-10-9(16-11-6)12-3-4-15-7(5-12)8(13)14-2/h7H,3-5H2,1-2H3.
What are the key properties of methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate?
methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate has a molecular weight of 243.29 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine-2-carboxylate is sourced from PubChem (CID 79034249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).