1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C11H17F3N2O2S — CID 102929004

IUPAC1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCCOC)nc1C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-15-7-8-10(11(12,13)14)16-9(19-8)3-4-18-6-5-17-2/h15H,3-7H2,1-2H3
InChIKeyCTWNQUBHTFGKDK-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.09
Rot. Bonds8

About 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 102929004) has the molecular formula C11H17F3N2O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID102929004
Molecular FormulaC11H17F3N2O2S
Molecular Weight298.33 g/mol
Exact Mass298.10
IUPAC Name1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCCOC)nc1C(F)(F)F
InChIInChI=1S/C11H17F3N2O2S/c1-15-7-8-10(11(12,13)14)16-9(19-8)3-4-18-6-5-17-2/h15H,3-7H2,1-2H3
InChIKeyCTWNQUBHTFGKDK-UHFFFAOYSA-N
XLogP2.09
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 102929004) is 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCOCCOC)nc1C(F)(F)F.
What is the InChIKey of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is CTWNQUBHTFGKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2S/c1-15-7-8-10(11(12,13)14)16-9(19-8)3-4-18-6-5-17-2/h15H,3-7H2,1-2H3.
What are the key properties of 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 298.33 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-methoxyethoxy)ethyl]-4-(trifluoromethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 102929004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).