N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C15H22N6OS — CID 72909764

IUPACN-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(Cc1noc(CC(C)C)n1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C15H22N6OS/c1-6-21(8-11-16-12(22-19-11)7-9(2)3)15-17-14-13(23-15)10(4)18-20(14)5/h9H,6-8H2,1-5H3
InChIKeyCINQFSHWNBKSNW-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.95
Rot. Bonds6

About N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72909764) has the molecular formula C15H22N6OS and a molecular weight of 334.45 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72909764
Molecular FormulaC15H22N6OS
Molecular Weight334.45 g/mol
Exact Mass334.16
IUPAC NameN-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(Cc1noc(CC(C)C)n1)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C15H22N6OS/c1-6-21(8-11-16-12(22-19-11)7-9(2)3)15-17-14-13(23-15)10(4)18-20(14)5/h9H,6-8H2,1-5H3
InChIKeyCINQFSHWNBKSNW-UHFFFAOYSA-N
XLogP2.95
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]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-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72885641
3-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]butanoic acid
CID 55122801
2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid
CID 62820805
N,1,3-trimethyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72888811
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
3-methyl-5-(2-methylpropyl)-1,2,4-oxadiazole;propane
CID 171626644
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
N-ethyl-1-methyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenylpyrrole-2-carboxamide
CID 77094118
(3S)-3-amino-4-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-4-oxobutanoic acid
CID 46995340
N-methyl-3-[[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 91833131
2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]acetaldehyde
CID 115079152
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N,1,3-trimethylpyrazolo[5,4-d][1,3]thiazol-5-amine
CID 72909929

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72909764) is N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is CCN(Cc1noc(CC(C)C)n1)c1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is CINQFSHWNBKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OS/c1-6-21(8-11-16-12(22-19-11)7-9(2)3)15-17-14-13(23-15)10(4)18-20(14)5/h9H,6-8H2,1-5H3.
What are the key properties of N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 334.45 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72909764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).