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

C9H14F2N2OS — CID 103081085

IUPAC2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CNCCOCC(F)F
InChIInChI=1S/C9H14F2N2OS/c1-7-8(15-6-13-7)4-12-2-3-14-5-9(10)11/h6,9,12H,2-5H2,1H3
InChIKeyZHHRCMPBQKGTIX-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.82
Rot. Bonds7

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

2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 103081085) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID103081085
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CNCCOCC(F)F
InChIInChI=1S/C9H14F2N2OS/c1-7-8(15-6-13-7)4-12-2-3-14-5-9(10)11/h6,9,12H,2-5H2,1H3
InChIKeyZHHRCMPBQKGTIX-UHFFFAOYSA-N
XLogP1.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.82
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 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 103081085) is 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncsc1CNCCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is ZHHRCMPBQKGTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-7-8(15-6-13-7)4-12-2-3-14-5-9(10)11/h6,9,12H,2-5H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 236.29 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103081085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).