ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate

C7H6F3NO2S2 — CID 156769458

IUPACethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(SC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S2/c1-2-13-5(12)4-3-11-6(14-4)15-7(8,9)10/h3H,2H2,1H3
InChIKeyGMIKJBRZFYEOIP-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.93
Rot. Bonds3

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

ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate (PubChem CID 156769458) has the molecular formula C7H6F3NO2S2 and a molecular weight of 257.26 g/mol. Its IUPAC name is ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate
PubChem CID156769458
Molecular FormulaC7H6F3NO2S2
Molecular Weight257.26 g/mol
Exact Mass256.98
IUPAC Nameethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(SC(F)(F)F)s1
InChIInChI=1S/C7H6F3NO2S2/c1-2-13-5(12)4-3-11-6(14-4)15-7(8,9)10/h3H,2H2,1H3
InChIKeyGMIKJBRZFYEOIP-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-bromothiazole-5-carboxylate
CID 2773502
Ethyl 2-bromothiazole-5-carboxylate
CID 3614103
Ethyl thiazole-5-carboxylate
CID 459108
Methyl 1,3-thiazole-5-carboxylate
CID 331117
Methyl 2-chloro-1,3-thiazole-5-carboxylate
CID 12897294
Methyl 2-acetylthiazole-5-carboxylate
CID 78358133
Ethyl 2-chloro-1,3-thiazole-5-carboxylate
CID 19017727
Ethyl 2-methyl-1,3-thiazole-5-carboxylate
CID 12808791
Ethyl 2-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 15171126
2-Methoxy-1,3-thiazole-5-carboxylic acid
CID 16494897
2-Ethoxy-1,3-thiazole-5-carboxylic acid
CID 16494898
Methyl 2-methyl-1,3-thiazole-5-carboxylate
CID 21427465

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate (CID 156769458) is ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(SC(F)(F)F)s1.
What is the InChIKey of ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GMIKJBRZFYEOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S2/c1-2-13-5(12)4-3-11-6(14-4)15-7(8,9)10/h3H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate has a molecular weight of 257.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethylsulfanyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 156769458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).