(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine

C16H22N2OS — CID 130254631

IUPAC(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine
SMILESCC(C)(C)c1ncc(CO[C@@H](CN)c2ccccc2)s1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)15-18-10-13(20-15)11-19-14(9-17)12-7-5-4-6-8-12/h4-8,10,14H,9,11,17H2,1-3H3/t14-/m0/s1
InChIKeyICGXAUYEYRTCBX-AWEZNQCLSA-N
MW290.43 g/mol
LogP3.66
Rot. Bonds5

About (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine

(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine (PubChem CID 130254631) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine.

Molecular Properties

Compound Name(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine
PubChem CID130254631
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine
SMILESCC(C)(C)c1ncc(CO[C@@H](CN)c2ccccc2)s1
InChIInChI=1S/C16H22N2OS/c1-16(2,3)15-18-10-13(20-15)11-19-14(9-17)12-7-5-4-6-8-12/h4-8,10,14H,9,11,17H2,1-3H3/t14-/m0/s1
InChIKeyICGXAUYEYRTCBX-AWEZNQCLSA-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 ≤ 500290.43
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine?
The IUPAC name of (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine (CID 130254631) is (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine.
What is the SMILES notation for (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine?
The canonical SMILES for (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine is CC(C)(C)c1ncc(CO[C@@H](CN)c2ccccc2)s1.
What is the InChIKey of (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine?
The InChIKey is ICGXAUYEYRTCBX-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-16(2,3)15-18-10-13(20-15)11-19-14(9-17)12-7-5-4-6-8-12/h4-8,10,14H,9,11,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine?
(2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine has a molecular weight of 290.43 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 (2R)-2-[(2-tert-butyl-1,3-thiazol-5-yl)methoxy]-2-phenylethanamine is sourced from PubChem (CID 130254631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).