1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine

C13H24N2OS — CID 79820562

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2OS/c1-12(2,3)10-9-17-11(15-10)8-13(4,14)6-7-16-5/h9H,6-8,14H2,1-5H3
InChIKeyNVBLMUPJXIQBES-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.74
Rot. Bonds5

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine

1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine (PubChem CID 79820562) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
PubChem CID79820562
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine
SMILESCOCCC(C)(N)Cc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H24N2OS/c1-12(2,3)10-9-17-11(15-10)8-13(4,14)6-7-16-5/h9H,6-8,14H2,1-5H3
InChIKeyNVBLMUPJXIQBES-UHFFFAOYSA-N
XLogP2.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine (CID 79820562) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine is COCCC(C)(N)Cc1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine?
The InChIKey is NVBLMUPJXIQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-12(2,3)10-9-17-11(15-10)8-13(4,14)6-7-16-5/h9H,6-8,14H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methoxy-2-methylbutan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.74, 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-methoxy-2-methylbutan-2-amine is sourced from PubChem (CID 79820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).