1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine

C16H28N2S — CID 62634123

IUPAC1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(C)(c1nc(C(C)(C)C)cs1)C1CCCC1
InChIInChI=1S/C16H28N2S/c1-6-17-16(5,12-9-7-8-10-12)14-18-13(11-19-14)15(2,3)4/h11-12,17H,6-10H2,1-5H3
InChIKeyQTFUVFZLEUFUOD-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.46
Rot. Bonds4

About 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine

1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine (PubChem CID 62634123) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
PubChem CID62634123
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
SMILESCCNC(C)(c1nc(C(C)(C)C)cs1)C1CCCC1
InChIInChI=1S/C16H28N2S/c1-6-17-16(5,12-9-7-8-10-12)14-18-13(11-19-14)15(2,3)4/h11-12,17H,6-10H2,1-5H3
InChIKeyQTFUVFZLEUFUOD-UHFFFAOYSA-N
XLogP4.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine?
The IUPAC name of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine (CID 62634123) is 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine?
The canonical SMILES for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine is CCNC(C)(c1nc(C(C)(C)C)cs1)C1CCCC1.
What is the InChIKey of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine?
The InChIKey is QTFUVFZLEUFUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-6-17-16(5,12-9-7-8-10-12)14-18-13(11-19-14)15(2,3)4/h11-12,17H,6-10H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine?
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine has a molecular weight of 280.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine is sourced from PubChem (CID 62634123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).