methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate

C7H6F3NO2S2 — CID 75384893

IUPACmethyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S2/c1-13-5(12)3-15-6-11-4(2-14-6)7(8,9)10/h2H,3H2,1H3
InChIKeyXCYLOHLZFULQNB-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.43
Rot. Bonds3

About methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate

methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate (PubChem CID 75384893) has the molecular formula C7H6F3NO2S2 and a molecular weight of 257.26 g/mol. Its IUPAC name is methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate
PubChem CID75384893
Molecular FormulaC7H6F3NO2S2
Molecular Weight257.26 g/mol
Exact Mass256.98
IUPAC Namemethyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate
SMILESCOC(=O)CSc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H6F3NO2S2/c1-13-5(12)3-15-6-11-4(2-14-6)7(8,9)10/h2H,3H2,1H3
InChIKeyXCYLOHLZFULQNB-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-Methyl-thiazol-2-ylsulfanyl)-acetic acid
CID 645306
Ethyl 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetate
CID 43535917
Ethyl 2-(4-methyl-1,3-thiazol-2-ylthio)acetate
CID 717361
2-(Difluoromethoxy)-4-methyl-1,3-thiazole
CID 20719786
Methyl 4-(difluoromethyl)thiazole-2-carboxylate
CID 23178460
Ethyl 4-(trifluoromethyl)thiazole-2-carboxylate
CID 23560697
2-Methylsulfanyl-4-(trifluoromethyl)-1,3-thiazole
CID 54506868
2-Methoxy-4-(trifluoromethyl)-1,3-thiazole
CID 59710653
4-Methyl-2-(trifluoromethoxy)-1,3-thiazole
CID 68374718
[4-(Difluoromethyl)-1,3-thiazol-2-yl] hydrogen carbonate
CID 69862337
4-Methyl-2-(trifluoromethoxysulfanyl)-1,3-thiazole
CID 70841970
2-Ethoxy-4-(trifluoromethyl)-1,3-thiazole
CID 89008183

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate?
The IUPAC name of methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate (CID 75384893) is methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate.
What is the SMILES notation for methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate?
The canonical SMILES for methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate is COC(=O)CSc1nc(C(F)(F)F)cs1.
What is the InChIKey of methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate?
The InChIKey is XCYLOHLZFULQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2S2/c1-13-5(12)3-15-6-11-4(2-14-6)7(8,9)10/h2H,3H2,1H3.
What are the key properties of methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate?
methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate has a molecular weight of 257.26 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]sulfanyl]acetate is sourced from PubChem (CID 75384893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).