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

C10H13F3N2O2S — CID 79363508

IUPACethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-9(16)7-6(2)15-18-8(7)14-5-4-10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyAXXWAKHBRSKVFU-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.99
Rot. Bonds5

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

ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate (PubChem CID 79363508) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate
PubChem CID79363508
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Nameethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCCC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-3-17-9(16)7-6(2)15-18-8(7)14-5-4-10(11,12)13/h14H,3-5H2,1-2H3
InChIKeyAXXWAKHBRSKVFU-UHFFFAOYSA-N
XLogP2.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate (CID 79363508) is ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCCC(F)(F)F.
What is the InChIKey of ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is AXXWAKHBRSKVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-3-17-9(16)7-6(2)15-18-8(7)14-5-4-10(11,12)13/h14H,3-5H2,1-2H3.
What are the key properties of ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 282.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79363508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).