ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate

C12H17N3O2S — CID 65274696

IUPACethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(c1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C12H17N3O2S/c1-2-17-10(16)7-15(9-5-6-9)12-13-11(14-18-12)8-3-4-8/h8-9H,2-7H2,1H3
InChIKeyGXALQMWMWFQOIS-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.95
Rot. Bonds6

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

ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate (PubChem CID 65274696) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
PubChem CID65274696
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC Nameethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(c1nc(C2CC2)ns1)C1CC1
InChIInChI=1S/C12H17N3O2S/c1-2-17-10(16)7-15(9-5-6-9)12-13-11(14-18-12)8-3-4-8/h8-9H,2-7H2,1H3
InChIKeyGXALQMWMWFQOIS-UHFFFAOYSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[cyclopropyl-(3-cyclopropyl-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

Related Compounds

2-[cyclobutyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 102675252
ethyl 2-[cyclopropyl-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]amino]acetate
CID 71852853
2-[cyclopropyl-(3-ethyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65273556
N-(2-chloroethyl)-N-cyclobutyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 102871748
N,3-dicyclopropyl-N-methyl-1,2,4-thiadiazol-5-amine
CID 131179833
2-[cyclopropyl-(3-propyl-1,2,4-thiadiazol-5-yl)amino]acetic acid
CID 65273496
ethyl 2-[cyclopropyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136989680
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-methylamino]butanoic acid
CID 65272940
N-cyclopentyl-3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 133429634
ethyl 1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxylate
CID 65275419
ethyl 2-[cyclopropyl-(2-oxo-1H-pyrazin-3-yl)amino]acetate
CID 114571207

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate (CID 65274696) is ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate is CCOC(=O)CN(c1nc(C2CC2)ns1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
The InChIKey is GXALQMWMWFQOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-2-17-10(16)7-15(9-5-6-9)12-13-11(14-18-12)8-3-4-8/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate?
ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate has a molecular weight of 267.35 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]acetate is sourced from PubChem (CID 65274696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).