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

C9H15N3O2S — CID 65209476

IUPACmethyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate
SMILESCOC(=O)C(Nc1nnc(C)s1)C(C)C
InChIInChI=1S/C9H15N3O2S/c1-5(2)7(8(13)14-4)10-9-12-11-6(3)15-9/h5,7H,1-4H3,(H,10,12)
InChIKeySTSNFAQNHYLHOI-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.46
Rot. Bonds4

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

methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate (PubChem CID 65209476) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate
PubChem CID65209476
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Namemethyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate
SMILESCOC(=O)C(Nc1nnc(C)s1)C(C)C
InChIInChI=1S/C9H15N3O2S/c1-5(2)7(8(13)14-4)10-9-12-11-6(3)15-9/h5,7H,1-4H3,(H,10,12)
InChIKeySTSNFAQNHYLHOI-UHFFFAOYSA-N
XLogP1.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate 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 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate (CID 65209476) is methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate is COC(=O)C(Nc1nnc(C)s1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate?
The InChIKey is STSNFAQNHYLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-5(2)7(8(13)14-4)10-9-12-11-6(3)15-9/h5,7H,1-4H3,(H,10,12).
What are the key properties of methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate?
methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate has a molecular weight of 229.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]butanoate is sourced from PubChem (CID 65209476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).