methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate

C14H18N4O2S — CID 114352563

IUPACmethyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
SMILESCOC(=O)C(c1nn2c(C3CC3)nnc2s1)C1CCCC1
InChIInChI=1S/C14H18N4O2S/c1-20-13(19)10(8-4-2-3-5-8)12-17-18-11(9-6-7-9)15-16-14(18)21-12/h8-10H,2-7H2,1H3
InChIKeyBGFQILSHBZIDBJ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.51
Rot. Bonds4

About methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate

methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate (PubChem CID 114352563) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
PubChem CID114352563
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Namemethyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
SMILESCOC(=O)C(c1nn2c(C3CC3)nnc2s1)C1CCCC1
InChIInChI=1S/C14H18N4O2S/c1-20-13(19)10(8-4-2-3-5-8)12-17-18-11(9-6-7-9)15-16-14(18)21-12/h8-10H,2-7H2,1H3
InChIKeyBGFQILSHBZIDBJ-UHFFFAOYSA-N
XLogP2.51
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)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

methyl 2-cyclopentyl-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352500
methyl 2-cyclopentyl-2-(3-propan-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate
CID 114352533
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 114355882
3-cyclopentyl-6-(diethoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114356311
2-amino-1-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114355869
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354437
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354358
3-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114355792
6-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)heptan-2-amine
CID 114355597
(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-phenylmethanamine
CID 114355644
2-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4-methylpentan-1-amine
CID 114355828

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate?
The IUPAC name of methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate (CID 114352563) is methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate.
What is the SMILES notation for methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate?
The canonical SMILES for methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate is COC(=O)C(c1nn2c(C3CC3)nnc2s1)C1CCCC1.
What is the InChIKey of methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate?
The InChIKey is BGFQILSHBZIDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-20-13(19)10(8-4-2-3-5-8)12-17-18-11(9-6-7-9)15-16-14(18)21-12/h8-10H,2-7H2,1H3.
What are the key properties of methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate?
methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate has a molecular weight of 306.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopentyl-2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)acetate is sourced from PubChem (CID 114352563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).