methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate

C9H13N3O3S — CID 115538651

IUPACmethyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncns2)CCO1
InChIInChI=1S/C9H13N3O3S/c1-14-8(13)4-7-5-12(2-3-15-7)9-10-6-11-16-9/h6-7H,2-5H2,1H3
InChIKeyJRXPBVXCQLGTOT-UHFFFAOYSA-N
MW243.29 g/mol
LogP0.31
Rot. Bonds3

About methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate

methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate (PubChem CID 115538651) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
PubChem CID115538651
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Namemethyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2ncns2)CCO1
InChIInChI=1S/C9H13N3O3S/c1-14-8(13)4-7-5-12(2-3-15-7)9-10-6-11-16-9/h6-7H,2-5H2,1H3
InChIKeyJRXPBVXCQLGTOT-UHFFFAOYSA-N
XLogP0.31
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate (CID 115538651) is methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2ncns2)CCO1.
What is the InChIKey of methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
The InChIKey is JRXPBVXCQLGTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-14-8(13)4-7-5-12(2-3-15-7)9-10-6-11-16-9/h6-7H,2-5H2,1H3.
What are the key properties of methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate has a molecular weight of 243.29 g/mol, XLogP of 0.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 115538651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).