1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine

C16H28N2OS — CID 105015928

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CCC2CCCCO2)n1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)14-11-20-15(18-14)10-12(17)7-8-13-6-4-5-9-19-13/h11-13H,4-10,17H2,1-3H3
InChIKeyZJUOITGVMVZWNK-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.66
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine (PubChem CID 105015928) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
PubChem CID105015928
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine
SMILESCC(C)(C)c1csc(CC(N)CCC2CCCCO2)n1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)14-11-20-15(18-14)10-12(17)7-8-13-6-4-5-9-19-13/h11-13H,4-10,17H2,1-3H3
InChIKeyZJUOITGVMVZWNK-UHFFFAOYSA-N
XLogP3.66
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 115842841
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxolan-2-yl)butan-2-one
CID 115787037
1-(4-methyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-ol
CID 115824182
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755
6,6-dimethyl-1-(oxan-2-yl)heptan-3-amine
CID 115849890
1-(2-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951754
1-(4-bromothiophen-2-yl)-4-(oxolan-2-yl)butan-2-amine
CID 115847784
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1,4-oxathian-2-yl)ethanamine
CID 79963922
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(3,5-difluorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 105412483
1-(4-chlorophenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951355

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine (CID 105015928) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine is CC(C)(C)c1csc(CC(N)CCC2CCCCO2)n1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine?
The InChIKey is ZJUOITGVMVZWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-16(2,3)14-11-20-15(18-14)10-12(17)7-8-13-6-4-5-9-19-13/h11-13H,4-10,17H2,1-3H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine has a molecular weight of 296.48 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)butan-2-amine is sourced from PubChem (CID 105015928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).