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

C13H24N2OS — CID 114363891

IUPACN-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(C(CC)OC)sc1CNCC
InChIInChI=1S/C13H24N2OS/c1-5-8-10-12(9-14-7-3)17-13(15-10)11(6-2)16-4/h11,14H,5-9H2,1-4H3
InChIKeyBEPGMZJRJZEMHG-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.30
Rot. Bonds8

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

N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114363891) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114363891
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC NameN-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCCc1nc(C(CC)OC)sc1CNCC
InChIInChI=1S/C13H24N2OS/c1-5-8-10-12(9-14-7-3)17-13(15-10)11(6-2)16-4/h11,14H,5-9H2,1-4H3
InChIKeyBEPGMZJRJZEMHG-UHFFFAOYSA-N
XLogP3.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine (CID 114363891) is N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is CCCc1nc(C(CC)OC)sc1CNCC.
What is the InChIKey of N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is BEPGMZJRJZEMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-8-10-12(9-14-7-3)17-13(15-10)11(6-2)16-4/h11,14H,5-9H2,1-4H3.
What are the key properties of N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 256.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxypropyl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114363891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).