ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate

C7H6F3NO2S2 — CID 156769452

IUPACethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1SC(F)(F)F
InChIInChI=1S/C7H6F3NO2S2/c1-2-13-5(12)4-6(14-3-11-4)15-7(8,9)10/h3H,2H2,1H3
InChIKeyWWPVNXOFWWSAGO-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.93
Rot. Bonds3

About ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate

ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate (PubChem CID 156769452) has the molecular formula C7H6F3NO2S2 and a molecular weight of 257.26 g/mol. Its IUPAC name is ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate
PubChem CID156769452
Molecular FormulaC7H6F3NO2S2
Molecular Weight257.26 g/mol
Exact Mass256.98
IUPAC Nameethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1ncsc1SC(F)(F)F
InChIInChI=1S/C7H6F3NO2S2/c1-2-13-5(12)4-6(14-3-11-4)15-7(8,9)10/h3H,2H2,1H3
InChIKeyWWPVNXOFWWSAGO-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

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Related Compounds

Methyl 1,3-thiazole-4-carboxylate
CID 2773414
Ethyl 1,3-thiazole-4-carboxylate
CID 5003096
Ethyl 5-chlorothiazole-4-carboxylate
CID 58758599
Ethyl 5-sulfanyl-1,3-thiazole-4-carboxylate
CID 12361222
Ethyl 5-bromo-1,3-thiazole-4-carboxylate
CID 12361218
Methyl 5-(chlorosulfonyl)-1,3-thiazole-4-carboxylate
CID 15077125
Methyl 5-bromo-1,3-thiazole-4-carboxylate
CID 40787018
Ethyl 5-(4,4-difluorobut-3-enylsulfanyl)-1,3-thiazole-4-carboxylate
CID 21850357
Ethyl 2-(difluoromethoxy)thiazole-4-carboxylate
CID 45117610
Ethyl 5-(trifluoromethyl)thiazole-4-carboxylate
CID 59705120
Ethyl 5-fluoro-1,3-thiazole-4-carboxylate
CID 91903060
Trifluoromethyl 1,3-thiazole-4-carboxylate
CID 118978386

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate (CID 156769452) is ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1ncsc1SC(F)(F)F.
What is the InChIKey of ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate?
The InChIKey is WWPVNXOFWWSAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S2/c1-2-13-5(12)4-6(14-3-11-4)15-7(8,9)10/h3H,2H2,1H3.
What are the key properties of ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate?
ethyl 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-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 5-(trifluoromethylsulfanyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 156769452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).