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

C8H8F3NO2S2 — CID 139236655

IUPACethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(SC)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2S2/c1-3-14-6(13)4-5(8(9,10)11)12-7(15-2)16-4/h3H2,1-2H3
InChIKeyGLIOZWRCHALZBE-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.06
Rot. Bonds3

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

ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 139236655) has the molecular formula C8H8F3NO2S2 and a molecular weight of 271.28 g/mol. Its IUPAC name is ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID139236655
Molecular FormulaC8H8F3NO2S2
Molecular Weight271.28 g/mol
Exact Mass270.99
IUPAC Nameethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(SC)nc1C(F)(F)F
InChIInChI=1S/C8H8F3NO2S2/c1-3-14-6(13)4-5(8(9,10)11)12-7(15-2)16-4/h3H2,1-2H3
InChIKeyGLIOZWRCHALZBE-UHFFFAOYSA-N
XLogP3.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 2824057
5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
CID 298610
Ethyl 2,4-dimethylthiazole-5-carboxylate
CID 603810
Ethyl 2-[(2-ethoxy-2-oxoethyl)thio]-4-methyl-1,3-thiazole-5-carboxylate
CID 2148129
Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate
CID 594903
Ethyl 2-chloro-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 1235240
2-Bromo-4-trifluoromethyl-thiazole-5-carboxylic acid ethyl ester
CID 13282759
Methyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate
CID 13015616
Ethyl 2-bromo-4-(difluoromethyl)-1,3-thiazole-5-carboxylate
CID 117645299
Methyl 2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 2769439
4-Trifluoromethyl-2-vinyl-thiazole-5-carboxylic acid ethyl ester
CID 12194706
Ethyl 2-fluoro-4-(trifluoromethyl)thiazole-5-carboxylate
CID 13282760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 139236655) is ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(SC)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GLIOZWRCHALZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2S2/c1-3-14-6(13)4-5(8(9,10)11)12-7(15-2)16-4/h3H2,1-2H3.
What are the key properties of ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 139236655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).