methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate

C12H19N3O3S — CID 79839516

IUPACmethyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nc(C(C)C)ns2)CCO1
InChIInChI=1S/C12H19N3O3S/c1-8(2)11-13-12(19-14-11)15-4-5-18-9(7-15)6-10(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyJWSFNJSRDDAROM-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.43
Rot. Bonds4

About methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate

methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate (PubChem CID 79839516) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
PubChem CID79839516
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Namemethyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(c2nc(C(C)C)ns2)CCO1
InChIInChI=1S/C12H19N3O3S/c1-8(2)11-13-12(19-14-11)15-4-5-18-9(7-15)6-10(16)17-3/h8-9H,4-7H2,1-3H3
InChIKeyJWSFNJSRDDAROM-UHFFFAOYSA-N
XLogP1.43
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate (CID 79839516) is methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate is COC(=O)CC1CN(c2nc(C(C)C)ns2)CCO1.
What is the InChIKey of methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
The InChIKey is JWSFNJSRDDAROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8(2)11-13-12(19-14-11)15-4-5-18-9(7-15)6-10(16)17-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate?
methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate has a molecular weight of 285.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-2-yl]acetate is sourced from PubChem (CID 79839516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).