N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine

C9H16N2OS — CID 62651551

IUPACN-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(COC)s1
InChIInChI=1S/C9H16N2OS/c1-4-10-7(2)8-5-11-9(13-8)6-12-3/h5,7,10H,4,6H2,1-3H3
InChIKeyPJOROPKOZUEFLJ-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.96
Rot. Bonds5

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

N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62651551) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62651551
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC NameN-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1cnc(COC)s1
InChIInChI=1S/C9H16N2OS/c1-4-10-7(2)8-5-11-9(13-8)6-12-3/h5,7,10H,4,6H2,1-3H3
InChIKeyPJOROPKOZUEFLJ-UHFFFAOYSA-N
XLogP1.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 62651551) is N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1cnc(COC)s1.
What is the InChIKey of N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PJOROPKOZUEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-10-7(2)8-5-11-9(13-8)6-12-3/h5,7,10H,4,6H2,1-3H3.
What are the key properties of N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 200.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(methoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62651551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).