ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C10H12F3NO3S — CID 139236652

IUPACethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(OC(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-4-16-8(15)6-7(10(11,12)13)14-9(18-6)17-5(2)3/h5H,4H2,1-3H3
InChIKeyFIHZBYIULXUVHU-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.13
Rot. Bonds4

About ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 139236652) has the molecular formula C10H12F3NO3S and a molecular weight of 283.27 g/mol. Its IUPAC name is ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID139236652
Molecular FormulaC10H12F3NO3S
Molecular Weight283.27 g/mol
Exact Mass283.05
IUPAC Nameethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(OC(C)C)nc1C(F)(F)F
InChIInChI=1S/C10H12F3NO3S/c1-4-16-8(15)6-7(10(11,12)13)14-9(18-6)17-5(2)3/h5H,4H2,1-3H3
InChIKeyFIHZBYIULXUVHU-UHFFFAOYSA-N
XLogP3.13
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 139236652) is ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(OC(C)C)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is FIHZBYIULXUVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3S/c1-4-16-8(15)6-7(10(11,12)13)14-9(18-6)17-5(2)3/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 283.27 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-propan-2-yloxy-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 139236652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).