N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine

C14H22N4OS — CID 63352587

IUPACN,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(Cc1nc(Cc2csc(C)n2)no1)C(C)(C)C
InChIInChI=1S/C14H22N4OS/c1-9-16-10(8-20-9)6-12-17-13(19-18-12)7-11(15-5)14(2,3)4/h8,11,15H,6-7H2,1-5H3
InChIKeyZTEYWPHYEUPUBO-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.60
Rot. Bonds5

About N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine

N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 63352587) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID63352587
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCNC(Cc1nc(Cc2csc(C)n2)no1)C(C)(C)C
InChIInChI=1S/C14H22N4OS/c1-9-16-10(8-20-9)6-12-17-13(19-18-12)7-11(15-5)14(2,3)4/h8,11,15H,6-7H2,1-5H3
InChIKeyZTEYWPHYEUPUBO-UHFFFAOYSA-N
XLogP2.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3,3-trimethyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63352279
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349527
2-methyl-3-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81073324
2-methyl-N-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 55228442
N-ethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55201469
1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352239
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63892002
N-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62800359
4-[[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62798238
3-(methylsulfanylmethyl)-5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazole
CID 72846179
N,N-dimethyl-2-[5-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 72889899
N-methyl-2-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561260

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 63352587) is N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is CNC(Cc1nc(Cc2csc(C)n2)no1)C(C)(C)C.
What is the InChIKey of N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is ZTEYWPHYEUPUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9-16-10(8-20-9)6-12-17-13(19-18-12)7-11(15-5)14(2,3)4/h8,11,15H,6-7H2,1-5H3.
What are the key properties of N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine?
N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 294.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 63352587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).