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

C10H16F2N2OS — CID 103150554

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)F)nc1C
InChIInChI=1S/C10H16F2N2OS/c1-7-8(5-13-2)16-10(14-7)3-4-15-6-9(11)12/h9,13H,3-6H2,1-2H3
InChIKeySURGMDDJGOMXSR-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.00
Rot. Bonds7

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

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103150554) has the molecular formula C10H16F2N2OS and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103150554
Molecular FormulaC10H16F2N2OS
Molecular Weight250.31 g/mol
Exact Mass250.10
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)F)nc1C
InChIInChI=1S/C10H16F2N2OS/c1-7-8(5-13-2)16-10(14-7)3-4-15-6-9(11)12/h9,13H,3-6H2,1-2H3
InChIKeySURGMDDJGOMXSR-UHFFFAOYSA-N
XLogP2.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103150554) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCOCC(F)F)nc1C.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is SURGMDDJGOMXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2OS/c1-7-8(5-13-2)16-10(14-7)3-4-15-6-9(11)12/h9,13H,3-6H2,1-2H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 250.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103150554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).