4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

C13H20N4O2S — CID 116703073

IUPAC4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCCOC(c1noc(-c2c(C)nsc2NC)n1)C(C)C
InChIInChI=1S/C13H20N4O2S/c1-6-18-10(7(2)3)11-15-12(19-16-11)9-8(4)17-20-13(9)14-5/h7,10,14H,6H2,1-5H3
InChIKeyVBUDRNVRKWQNRO-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.28
Rot. Bonds6

About 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine

4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (PubChem CID 116703073) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.

Molecular Properties

Compound Name4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
PubChem CID116703073
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
SMILESCCOC(c1noc(-c2c(C)nsc2NC)n1)C(C)C
InChIInChI=1S/C13H20N4O2S/c1-6-18-10(7(2)3)11-15-12(19-16-11)9-8(4)17-20-13(9)14-5/h7,10,14H,6H2,1-5H3
InChIKeyVBUDRNVRKWQNRO-UHFFFAOYSA-N
XLogP3.28
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine 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

N,3-dimethyl-4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79391131
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79391874
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 116703046
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 79392515
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine
CID 102926552
N-methyl-5-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790600
5-(1-chloroethyl)-3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazole
CID 116701144
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136790025
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 116703169
3-(1-ethoxy-2-methylpropyl)-5-(2-methyltetrazol-5-yl)-1,2,4-oxadiazole
CID 139019243
2-chloro-4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116703123
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 136965242

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The IUPAC name of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine (CID 116703073) is 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine.
What is the SMILES notation for 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The canonical SMILES for 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is CCOC(c1noc(-c2c(C)nsc2NC)n1)C(C)C.
What is the InChIKey of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
The InChIKey is VBUDRNVRKWQNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-6-18-10(7(2)3)11-15-12(19-16-11)9-8(4)17-20-13(9)14-5/h7,10,14H,6H2,1-5H3.
What are the key properties of 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine?
4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine has a molecular weight of 296.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,3-dimethyl-1,2-thiazol-5-amine is sourced from PubChem (CID 116703073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).