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

C12H20F2N2OS — CID 103150101

IUPAC1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(CCOCC(F)F)nc1C
InChIInChI=1S/C12H20F2N2OS/c1-4-15-8(2)12-9(3)16-11(18-12)5-6-17-7-10(13)14/h8,10,15H,4-7H2,1-3H3
InChIKeyMGXHPNLORNLLSS-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.95
Rot. Bonds8

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

1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (PubChem CID 103150101) has the molecular formula C12H20F2N2OS and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
PubChem CID103150101
Molecular FormulaC12H20F2N2OS
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine
SMILESCCNC(C)c1sc(CCOCC(F)F)nc1C
InChIInChI=1S/C12H20F2N2OS/c1-4-15-8(2)12-9(3)16-11(18-12)5-6-17-7-10(13)14/h8,10,15H,4-7H2,1-3H3
InChIKeyMGXHPNLORNLLSS-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.95
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

[1-(Dimethyl-1,3-thiazol-5-yl)ethyl](methyl)amine
CID 50989035
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)-N-methylethanamine
CID 72126106
(1-(2-Ethyl-4-methyl-1,3-thiazol-5-yl)ethyl)(methyl)amine
CID 54594887
Methyl({1-[4-methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]ethyl})amine
CID 61287604
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
CID 51983424
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 51983426
N-[(1S)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylprop-2-en-1-amine
CID 99629512
4-Methyl-5-[1-(2,2,2-trifluoroethylamino)ethyl]-1,3-thiazole-2-carboxamide
CID 69594397
(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377698
1-[4-Methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethanamine
CID 135377699
2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378208
(S)-2-methyl-N-[(1R)-1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]propane-2-sulfinamide
CID 135378211

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine (CID 103150101) is 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine is CCNC(C)c1sc(CCOCC(F)F)nc1C.
What is the InChIKey of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
The InChIKey is MGXHPNLORNLLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2OS/c1-4-15-8(2)12-9(3)16-11(18-12)5-6-17-7-10(13)14/h8,10,15H,4-7H2,1-3H3.
What are the key properties of 1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine?
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]-N-ethylethanamine has a molecular weight of 278.37 g/mol, XLogP of 2.95, 8 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-ethylethanamine is sourced from PubChem (CID 103150101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).