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

C10H15N3O2S — CID 118492545

IUPACmethyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate
SMILESCOC(=O)CC1CCC(c2nnc(N)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-15-8(14)5-6-2-3-7(4-6)9-12-13-10(11)16-9/h6-7H,2-5H2,1H3,(H2,11,13)
InChIKeyMOTYTEPTFYWMNL-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.57
Rot. Bonds3

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

methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate (PubChem CID 118492545) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate
PubChem CID118492545
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Namemethyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate
SMILESCOC(=O)CC1CCC(c2nnc(N)s2)C1
InChIInChI=1S/C10H15N3O2S/c1-15-8(14)5-6-2-3-7(4-6)9-12-13-10(11)16-9/h6-7H,2-5H2,1H3,(H2,11,13)
InChIKeyMOTYTEPTFYWMNL-UHFFFAOYSA-N
XLogP1.57
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]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-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate?
The IUPAC name of methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate (CID 118492545) is methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate.
What is the SMILES notation for methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate?
The canonical SMILES for methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate is COC(=O)CC1CCC(c2nnc(N)s2)C1.
What is the InChIKey of methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate?
The InChIKey is MOTYTEPTFYWMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-15-8(14)5-6-2-3-7(4-6)9-12-13-10(11)16-9/h6-7H,2-5H2,1H3,(H2,11,13).
What are the key properties of methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate?
methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate has a molecular weight of 241.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(5-amino-1,3,4-thiadiazol-2-yl)cyclopentyl]acetate is sourced from PubChem (CID 118492545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).