1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine

C12H20N2OS — CID 116761823

IUPAC1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCOC1(C(N)Cc2cncs2)CCCC1
InChIInChI=1S/C12H20N2OS/c1-2-15-12(5-3-4-6-12)11(13)7-10-8-14-9-16-10/h8-9,11H,2-7,13H2,1H3
InChIKeySRDUSQHGMSUBRJ-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.36
Rot. Bonds5

About 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine

1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine (PubChem CID 116761823) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine
PubChem CID116761823
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine
SMILESCCOC1(C(N)Cc2cncs2)CCCC1
InChIInChI=1S/C12H20N2OS/c1-2-15-12(5-3-4-6-12)11(13)7-10-8-14-9-16-10/h8-9,11H,2-7,13H2,1H3
InChIKeySRDUSQHGMSUBRJ-UHFFFAOYSA-N
XLogP2.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine (CID 116761823) is 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine is CCOC1(C(N)Cc2cncs2)CCCC1.
What is the InChIKey of 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine?
The InChIKey is SRDUSQHGMSUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-15-12(5-3-4-6-12)11(13)7-10-8-14-9-16-10/h8-9,11H,2-7,13H2,1H3.
What are the key properties of 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine?
1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine has a molecular weight of 240.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycyclopentyl)-2-(1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 116761823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).