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

C12H18N4OS — CID 107473508

IUPAC4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(C)CC(CN)c1nc(-c2cncs2)no1
InChIInChI=1S/C12H18N4OS/c1-12(2,3)4-8(5-13)11-15-10(16-17-11)9-6-14-7-18-9/h6-8H,4-5,13H2,1-3H3
InChIKeyQYGWIAWGTUDKFM-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.67
Rot. Bonds4

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

4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 107473508) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID107473508
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCC(C)(C)CC(CN)c1nc(-c2cncs2)no1
InChIInChI=1S/C12H18N4OS/c1-12(2,3)4-8(5-13)11-15-10(16-17-11)9-6-14-7-18-9/h6-8H,4-5,13H2,1-3H3
InChIKeyQYGWIAWGTUDKFM-UHFFFAOYSA-N
XLogP2.67
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine with MolForge

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Related Compounds

2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473668
(1R)-2-phenyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104902160
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894738
4,4-dimethyl-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107473490
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473689
2-methyl-3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526114
2-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473492
4,4-dimethyl-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 107473647
2-[3-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 82895457
[4-methyl-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442839
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65222968
3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 96590921

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 107473508) is 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CC(C)(C)CC(CN)c1nc(-c2cncs2)no1.
What is the InChIKey of 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is QYGWIAWGTUDKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(2,3)4-8(5-13)11-15-10(16-17-11)9-6-14-7-18-9/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 266.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 107473508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).