1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine

C9H16N2OS — CID 54595767

IUPAC1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCOC(C)c1nc(CNC)cs1
InChIInChI=1S/C9H16N2OS/c1-4-12-7(2)9-11-8(5-10-3)6-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeyUINDADFKDFDUOK-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.96
Rot. Bonds5

About 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine

1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine (PubChem CID 54595767) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
PubChem CID54595767
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine
SMILESCCOC(C)c1nc(CNC)cs1
InChIInChI=1S/C9H16N2OS/c1-4-12-7(2)9-11-8(5-10-3)6-13-9/h6-7,10H,4-5H2,1-3H3
InChIKeyUINDADFKDFDUOK-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 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine (CID 54595767) is 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine is CCOC(C)c1nc(CNC)cs1.
What is the InChIKey of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
The InChIKey is UINDADFKDFDUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-4-12-7(2)9-11-8(5-10-3)6-13-9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine?
1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine 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 1-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 54595767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).