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

C9H15N3O2S — CID 14749037

IUPACmethyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCOC(=O)CN(C)c1nc(C(C)C)ns1
InChIInChI=1S/C9H15N3O2S/c1-6(2)8-10-9(15-11-8)12(3)5-7(13)14-4/h6H,5H2,1-4H3
InChIKeyUWWBNDMPVYNADO-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.27
Rot. Bonds4

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

methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 14749037) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID14749037
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Namemethyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCOC(=O)CN(C)c1nc(C(C)C)ns1
InChIInChI=1S/C9H15N3O2S/c1-6(2)8-10-9(15-11-8)12(3)5-7(13)14-4/h6H,5H2,1-4H3
InChIKeyUWWBNDMPVYNADO-UHFFFAOYSA-N
XLogP1.27
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 14749037) is methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is COC(=O)CN(C)c1nc(C(C)C)ns1.
What is the InChIKey of methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is UWWBNDMPVYNADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-6(2)8-10-9(15-11-8)12(3)5-7(13)14-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate?
methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 229.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 14749037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).