2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine

C17H24N2S — CID 62366190

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1csc(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-5-18-15(13-9-7-6-8-10-13)11-14-12-20-16(19-14)17(2,3)4/h6-10,12,15,18H,5,11H2,1-4H3
InChIKeySOBOLUSDVDBKMQ-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.33
Rot. Bonds5

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine (PubChem CID 62366190) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
PubChem CID62366190
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine
SMILESCCNC(Cc1csc(C(C)(C)C)n1)c1ccccc1
InChIInChI=1S/C17H24N2S/c1-5-18-15(13-9-7-6-8-10-13)11-14-12-20-16(19-14)17(2,3)4/h6-10,12,15,18H,5,11H2,1-4H3
InChIKeySOBOLUSDVDBKMQ-UHFFFAOYSA-N
XLogP4.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine (CID 62366190) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine is CCNC(Cc1csc(C(C)(C)C)n1)c1ccccc1.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine?
The InChIKey is SOBOLUSDVDBKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-18-15(13-9-7-6-8-10-13)11-14-12-20-16(19-14)17(2,3)4/h6-10,12,15,18H,5,11H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine has a molecular weight of 288.46 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-ethyl-1-phenylethanamine is sourced from PubChem (CID 62366190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).