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

C14H26N2OS — CID 116502423

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1nc(C(C)(C)C)cs1)C(C)COC
InChIInChI=1S/C14H26N2OS/c1-7-15-12(10(2)8-17-6)13-16-11(9-18-13)14(3,4)5/h9-10,12,15H,7-8H2,1-6H3
InChIKeyWHKORNZIUWPEQO-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.37
Rot. Bonds6

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

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine (PubChem CID 116502423) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine
PubChem CID116502423
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine
SMILESCCNC(c1nc(C(C)(C)C)cs1)C(C)COC
InChIInChI=1S/C14H26N2OS/c1-7-15-12(10(2)8-17-6)13-16-11(9-18-13)14(3,4)5/h9-10,12,15H,7-8H2,1-6H3
InChIKeyWHKORNZIUWPEQO-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.37
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-2-methylpropan-1-amine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine (CID 116502423) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine is CCNC(c1nc(C(C)(C)C)cs1)C(C)COC.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine?
The InChIKey is WHKORNZIUWPEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-15-12(10(2)8-17-6)13-16-11(9-18-13)14(3,4)5/h9-10,12,15H,7-8H2,1-6H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-2-methylpropan-1-amine has a molecular weight of 270.44 g/mol, XLogP of 3.37, 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-2-methylpropan-1-amine is sourced from PubChem (CID 116502423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).