4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

C12H18N4O2S — CID 116704022

IUPAC4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCOC(c1noc(Cc2csc(N)n2)n1)C(C)(C)C
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)9(17-4)10-15-8(18-16-10)5-7-6-19-11(13)14-7/h6,9H,5H2,1-4H3,(H2,13,14)
InChIKeyNMVFJTUZDHNVSN-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.43
Rot. Bonds4

About 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine

4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 116704022) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID116704022
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESCOC(c1noc(Cc2csc(N)n2)n1)C(C)(C)C
InChIInChI=1S/C12H18N4O2S/c1-12(2,3)9(17-4)10-15-8(18-16-10)5-7-6-19-11(13)14-7/h6,9H,5H2,1-4H3,(H2,13,14)
InChIKeyNMVFJTUZDHNVSN-UHFFFAOYSA-N
XLogP2.43
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-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

4-[[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 116703171
5-[(2-amino-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-amine
CID 65417058
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-amine
CID 116704120
5-[(2-amino-1,3-thiazol-4-yl)methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799505
3-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116704096
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-2-amine
CID 116703950
1-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 116733518
[1-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 116703915
1-cyclopropyl-2-[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116704058
4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 103472885
4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine
CID 61261610
2-methoxy-N-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 116703910

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 116704022) is 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is COC(c1noc(Cc2csc(N)n2)n1)C(C)(C)C.
What is the InChIKey of 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is NMVFJTUZDHNVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-12(2,3)9(17-4)10-15-8(18-16-10)5-7-6-19-11(13)14-7/h6,9H,5H2,1-4H3,(H2,13,14).
What are the key properties of 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 282.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1-methoxy-2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116704022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).