ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate

C9H10F4N2O2S — CID 106295398

IUPACethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O2S/c1-2-17-7(16)5-6(18-4-15-5)14-3-9(12,13)8(10)11/h4,8,14H,2-3H2,1H3
InChIKeyWXSHZVYYHOQRSO-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.63
Rot. Bonds6

About ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate

ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate (PubChem CID 106295398) has the molecular formula C9H10F4N2O2S and a molecular weight of 286.25 g/mol. Its IUPAC name is ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate
PubChem CID106295398
Molecular FormulaC9H10F4N2O2S
Molecular Weight286.25 g/mol
Exact Mass286.04
IUPAC Nameethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1NCC(F)(F)C(F)F
InChIInChI=1S/C9H10F4N2O2S/c1-2-17-7(16)5-6(18-4-15-5)14-3-9(12,13)8(10)11/h4,8,14H,2-3H2,1H3
InChIKeyWXSHZVYYHOQRSO-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 5-amino-1,3-thiazole-4-carboxylate
CID 12620181
Methyl 5-(methylamino)thiazole-4-carboxylate
CID 12792584
US10752598, Example 14
CID 126482862
US11390631, Example 335
CID 126482463
Methyl 5-amino-1,3-thiazole-4-carboxylate
CID 53408092
Ethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
CID 54593333
Ethyl 2-methyl-5-(methylamino)thiazole-4-carboxylate
CID 14616139
methyl 5-[(3R)-3-methylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726179
Methyl 5-(3-methylpiperazin-1-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 89726180
methyl 5-[(3R)-3-ethylpiperazin-1-yl]-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 117834413
Ethyl 2-(1,1-difluoroethyl)-5-morpholin-4-yl-1,3-thiazole-4-carboxylate
CID 126482668
Ethyl 5-(3-methylmorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
CID 134461662

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate (CID 106295398) is ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1NCC(F)(F)C(F)F.
What is the InChIKey of ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is WXSHZVYYHOQRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O2S/c1-2-17-7(16)5-6(18-4-15-5)14-3-9(12,13)8(10)11/h4,8,14H,2-3H2,1H3.
What are the key properties of ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate?
ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 286.25 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2,3,3-tetrafluoropropylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 106295398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).