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

C15H28N2OS — CID 106676094

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H28N2OS/c1-8-16-11(9-15(5,6)18-7)13-17-12(10-19-13)14(2,3)4/h10-11,16H,8-9H2,1-7H3
InChIKeyISMLQUCLPDERAJ-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds6

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (PubChem CID 106676094) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
PubChem CID106676094
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
SMILESCCNC(CC(C)(C)OC)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H28N2OS/c1-8-16-11(9-15(5,6)18-7)13-17-12(10-19-13)14(2,3)4/h10-11,16H,8-9H2,1-7H3
InChIKeyISMLQUCLPDERAJ-UHFFFAOYSA-N
XLogP3.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
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)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine (CID 106676094) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine is CCNC(CC(C)(C)OC)c1nc(C(C)(C)C)cs1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
The InChIKey is ISMLQUCLPDERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-8-16-11(9-15(5,6)18-7)13-17-12(10-19-13)14(2,3)4/h10-11,16H,8-9H2,1-7H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine has a molecular weight of 284.47 g/mol, XLogP of 3.91, 6 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)-N-ethyl-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 106676094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).