1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine

C13H16N2OS — CID 81174031

IUPAC1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(COC)nc1-c1ccccc1
InChIInChI=1S/C13H16N2OS/c1-14-8-11-13(10-6-4-3-5-7-10)15-12(17-11)9-16-2/h3-7,14H,8-9H2,1-2H3
InChIKeyAUSHVZGJJNNPDV-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.68
Rot. Bonds5

About 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 81174031) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID81174031
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(COC)nc1-c1ccccc1
InChIInChI=1S/C13H16N2OS/c1-14-8-11-13(10-6-4-3-5-7-10)15-12(17-11)9-16-2/h3-7,14H,8-9H2,1-2H3
InChIKeyAUSHVZGJJNNPDV-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 81174031) is 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(COC)nc1-c1ccccc1.
What is the InChIKey of 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is AUSHVZGJJNNPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-14-8-11-13(10-6-4-3-5-7-10)15-12(17-11)9-16-2/h3-7,14H,8-9H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 81174031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).