methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate

C11H19N3O2S — CID 65275369

IUPACmethyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCCc1nsc(N(CC)CCC(=O)OC)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-9-12-11(17-13-9)14(5-2)8-7-10(15)16-3/h4-8H2,1-3H3
InChIKeyQOXRAZRUKREONZ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.88
Rot. Bonds7

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

methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate (PubChem CID 65275369) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
PubChem CID65275369
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Namemethyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
SMILESCCCc1nsc(N(CC)CCC(=O)OC)n1
InChIInChI=1S/C11H19N3O2S/c1-4-6-9-12-11(17-13-9)14(5-2)8-7-10(15)16-3/h4-8H2,1-3H3
InChIKeyQOXRAZRUKREONZ-UHFFFAOYSA-N
XLogP1.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-[ethyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65275314
methyl 3-[ethyl-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]propanoate
CID 107305865
3-[methyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65273071
N'-hydroxy-3-[2-methoxyethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanimidamide
CID 77064340
2-[prop-2-enyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 79263868
2-[(3-propyl-1,2,4-thiadiazol-5-yl)-prop-2-ynylamino]acetic acid
CID 79273708
3-[ethyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propan-1-ol
CID 115886093
methyl 3-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]propanoate
CID 113293035
methyl 2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 65274645
methyl 3-[ethyl-(6-methoxy-2-methylpyrimidin-4-yl)amino]propanoate
CID 66332677
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 3-[methyl-(5-propyl-1H-1,2,4-triazole-3-carbonyl)amino]propanoate
CID 107858335

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate (CID 65275369) is methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate is CCCc1nsc(N(CC)CCC(=O)OC)n1.
What is the InChIKey of methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
The InChIKey is QOXRAZRUKREONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-6-9-12-11(17-13-9)14(5-2)8-7-10(15)16-3/h4-8H2,1-3H3.
What are the key properties of methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate?
methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate has a molecular weight of 257.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate is sourced from PubChem (CID 65275369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).