[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate

C10H7F3N2O2S2 — CID 71976573

IUPAC[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate
SMILESCc1csc(C(OC(=O)c2cscn2)C(F)(F)F)n1
InChIInChI=1S/C10H7F3N2O2S2/c1-5-2-19-8(15-5)7(10(11,12)13)17-9(16)6-3-18-4-14-6/h2-4,7H,1H3
InChIKeyNCFIHWBIVGBIFI-UHFFFAOYSA-N
MW308.31 g/mol
LogP3.37
Rot. Bonds3

About [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate

[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate (PubChem CID 71976573) has the molecular formula C10H7F3N2O2S2 and a molecular weight of 308.31 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate
PubChem CID71976573
Molecular FormulaC10H7F3N2O2S2
Molecular Weight308.31 g/mol
Exact Mass307.99
IUPAC Name[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate
SMILESCc1csc(C(OC(=O)c2cscn2)C(F)(F)F)n1
InChIInChI=1S/C10H7F3N2O2S2/c1-5-2-19-8(15-5)7(10(11,12)13)17-9(16)6-3-18-4-14-6/h2-4,7H,1H3
InChIKeyNCFIHWBIVGBIFI-UHFFFAOYSA-N
XLogP3.37
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate?
The IUPAC name of [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate (CID 71976573) is [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate?
The canonical SMILES for [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate is Cc1csc(C(OC(=O)c2cscn2)C(F)(F)F)n1.
What is the InChIKey of [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate?
The InChIKey is NCFIHWBIVGBIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2S2/c1-5-2-19-8(15-5)7(10(11,12)13)17-9(16)6-3-18-4-14-6/h2-4,7H,1H3.
What are the key properties of [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate?
[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate has a molecular weight of 308.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl] 1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71976573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).