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

C9H14F2N2OS — CID 103081221

IUPAC2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCOCC(F)F)s1
InChIInChI=1S/C9H14F2N2OS/c1-7-13-5-8(15-7)4-12-2-3-14-6-9(10)11/h5,9,12H,2-4,6H2,1H3
InChIKeyYPWONDQUYGNFJS-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.82
Rot. Bonds7

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

2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 103081221) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID103081221
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCOCC(F)F)s1
InChIInChI=1S/C9H14F2N2OS/c1-7-13-5-8(15-7)4-12-2-3-14-6-9(10)11/h5,9,12H,2-4,6H2,1H3
InChIKeyYPWONDQUYGNFJS-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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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 53553124
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 72043646
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N-methyl-2-prop-2-ynoxyethanamine
CID 138032714
2,2,2-trifluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60776622
N'-[[2-(difluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458327
N'-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458500
N'-[[2-(trifluoromethoxy)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458519
N'-[[2-(difluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 70458538
N',N'-dimethyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethane-1,2-diamine
CID 121378930
3-[[2-(Trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,6-dihydro-1,3,4-oxadiazin-6-amine
CID 122642788
4-[[2-(2-Fluoroethynyl)-1,3-thiazol-5-yl]methyl]morpholine
CID 143305266
2,2,2-trifluoro-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 156060729

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 103081221) is 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNCCOCC(F)F)s1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is YPWONDQUYGNFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-7-13-5-8(15-7)4-12-2-3-14-6-9(10)11/h5,9,12H,2-4,6H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-(2,2-difluoroethoxy)-N-[(2-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-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 103081221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).