ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium

C24H34F3N4OS+ — CID 156795569

IUPACethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium
SMILESCC.CC.C[N+](C)(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C20H22F3N4OS.2C2H6/c1-27(2,3)9-10-28-18-11-14(7-8-24-18)17-13-29-19(26-17)25-16-6-4-5-15(12-16)20(21,22)23;2*1-2/h4-8,11-13H,9-10H2,1-3H3,(H,25,26);2*1-2H3/q+1;;
InChIKeyAKIUSKGXHDRDNT-UHFFFAOYSA-N
MW483.62 g/mol
LogP7.10
Rot. Bonds7

About ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium

ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium (PubChem CID 156795569) has the molecular formula C24H34F3N4OS+ and a molecular weight of 483.62 g/mol. Its IUPAC name is ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium.

Molecular Properties

Compound Nameethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium
PubChem CID156795569
Molecular FormulaC24H34F3N4OS+
Molecular Weight483.62 g/mol
Exact Mass483.24
IUPAC Nameethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium
SMILESCC.CC.C[N+](C)(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1
InChIInChI=1S/C20H22F3N4OS.2C2H6/c1-27(2,3)9-10-28-18-11-14(7-8-24-18)17-13-29-19(26-17)25-16-6-4-5-15(12-16)20(21,22)23;2*1-2/h4-8,11-13H,9-10H2,1-3H3,(H,25,26);2*1-2H3/q+1;;
InChIKeyAKIUSKGXHDRDNT-UHFFFAOYSA-N
XLogP7.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium with MolForge

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Related Compounds

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyridin-2-amine
CID 786894
(2-Methoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 704576
3-(Benzyloxy)-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 16660015
2-(2-(4-Methylthiazol-2-ylamino)pyridin-3-yloxy)benzonitrile
CID 16752714
3-(Benzyloxy)-5-Methyl-N-(4-Methyl-1,3-Thiazol-2-Yl)pyridin-2-Amine
CID 59225669
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
2-(2-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
CID 8123738
2-(3-methylphenoxy)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 16305869
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(3-methyl-pyridin-2-yl)-amine
CID 972796
3-(Benzyloxy)-5-bromo-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16061466
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 16660170
3-(benzyloxy)-5-(benzylthio)-N-(4-methylthiazol-2-yl)pyridin-2-amine
CID 16660174

Frequently Asked Questions

What is the IUPAC name of ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium?
The IUPAC name of ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium (CID 156795569) is ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium.
What is the SMILES notation for ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium?
The canonical SMILES for ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium is CC.CC.C[N+](C)(C)CCOc1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)ccn1.
What is the InChIKey of ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium?
The InChIKey is AKIUSKGXHDRDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N4OS.2C2H6/c1-27(2,3)9-10-28-18-11-14(7-8-24-18)17-13-29-19(26-17)25-16-6-4-5-15(12-16)20(21,22)23;2*1-2/h4-8,11-13H,9-10H2,1-3H3,(H,25,26);2*1-2H3/q+1;;.
What are the key properties of ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium?
ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium has a molecular weight of 483.62 g/mol, XLogP of 7.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trimethyl-[2-[[4-[2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]-2-pyridinyl]oxy]ethyl]azanium is sourced from PubChem (CID 156795569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).