methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

C12H6F4N2O2S2 — CID 135380563

IUPACmethyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1[nH]c2nc(F)sc2c1-c1ccsc1C(F)(F)F
InChIInChI=1S/C12H6F4N2O2S2/c1-20-10(19)6-5(7-9(17-6)18-11(13)22-7)4-2-3-21-8(4)12(14,15)16/h2-3,17H,1H3
InChIKeyUQUWRENGJBVGJD-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.30
Rot. Bonds2

About methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 135380563) has the molecular formula C12H6F4N2O2S2 and a molecular weight of 350.32 g/mol. Its IUPAC name is methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID135380563
Molecular FormulaC12H6F4N2O2S2
Molecular Weight350.32 g/mol
Exact Mass349.98
IUPAC Namemethyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1[nH]c2nc(F)sc2c1-c1ccsc1C(F)(F)F
InChIInChI=1S/C12H6F4N2O2S2/c1-20-10(19)6-5(7-9(17-6)18-11(13)22-7)4-2-3-21-8(4)12(14,15)16/h2-3,17H,1H3
InChIKeyUQUWRENGJBVGJD-UHFFFAOYSA-N
XLogP4.30
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 135380563) is methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is COC(=O)c1[nH]c2nc(F)sc2c1-c1ccsc1C(F)(F)F.
What is the InChIKey of methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is UQUWRENGJBVGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N2O2S2/c1-20-10(19)6-5(7-9(17-6)18-11(13)22-7)4-2-3-21-8(4)12(14,15)16/h2-3,17H,1H3.
What are the key properties of methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 350.32 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 135380563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).