N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C13H22N2OS — CID 104841380

IUPACN-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(C)CCCO2)nc1CC
InChIInChI=1S/C13H22N2OS/c1-4-10-11(9-14-5-2)17-12(15-10)13(3)7-6-8-16-13/h14H,4-9H2,1-3H3
InChIKeyNMGYJEQGLLRTLD-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.84
Rot. Bonds5

About N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 104841380) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID104841380
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(C2(C)CCCO2)nc1CC
InChIInChI=1S/C13H22N2OS/c1-4-10-11(9-14-5-2)17-12(15-10)13(3)7-6-8-16-13/h14H,4-9H2,1-3H3
InChIKeyNMGYJEQGLLRTLD-UHFFFAOYSA-N
XLogP2.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 104841380) is N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(C2(C)CCCO2)nc1CC.
What is the InChIKey of N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is NMGYJEQGLLRTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-10-11(9-14-5-2)17-12(15-10)13(3)7-6-8-16-13/h14H,4-9H2,1-3H3.
What are the key properties of N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethyl-2-(2-methyloxolan-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 104841380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).