[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate

C11H10F3N3O2S — CID 56825299

IUPAC[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)OCc1nccn1CC(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-7-9(20-6-16-7)10(18)19-4-8-15-2-3-17(8)5-11(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyQKTPHQRSMNGGCA-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.57
Rot. Bonds4

About [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate

[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 56825299) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate
PubChem CID56825299
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate
SMILESCc1ncsc1C(=O)OCc1nccn1CC(F)(F)F
InChIInChI=1S/C11H10F3N3O2S/c1-7-9(20-6-16-7)10(18)19-4-8-15-2-3-17(8)5-11(12,13)14/h2-3,6H,4-5H2,1H3
InChIKeyQKTPHQRSMNGGCA-UHFFFAOYSA-N
XLogP2.57
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate (CID 56825299) is [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate is Cc1ncsc1C(=O)OCc1nccn1CC(F)(F)F.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QKTPHQRSMNGGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-7-9(20-6-16-7)10(18)19-4-8-15-2-3-17(8)5-11(12,13)14/h2-3,6H,4-5H2,1H3.
What are the key properties of [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate?
[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 305.28 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl 4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 56825299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).