ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

C9H7F3N2O2S — CID 175975947

IUPACethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C9H7F3N2O2S/c1-2-16-7(15)4-3-5-6(13-4)14-8(17-5)9(10,11)12/h3,13H,2H2,1H3
InChIKeyFZHHVWPHEQUXNO-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.82
Rot. Bonds2

About ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate

ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 175975947) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID175975947
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Nameethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C9H7F3N2O2S/c1-2-16-7(15)4-3-5-6(13-4)14-8(17-5)9(10,11)12/h3,13H,2H2,1H3
InChIKeyFZHHVWPHEQUXNO-UHFFFAOYSA-N
XLogP2.82
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 24815611
methyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 67366831
ethyl 4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 18405245
methyl 2-fluoro-6-[2-(trifluoromethyl)thiophen-3-yl]-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 135380563
2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 156196462
ethyl 2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 156196491
ethyl 2-(2-fluoro-4-methylphenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 156224514
Methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 134833708
2-(Trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 82389311
Ethyl 2-methylthieno[2,3-d]imidazol-5-carboxylate
CID 22387955
ethyl 2-(4-nitrophenyl)-4H-pyrrolo[2,3-d]thiazole-5-carboxylate
CID 59463473
2-Methyl-4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid
CID 92134096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 175975947) is ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is CCOC(=O)c1cc2sc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is FZHHVWPHEQUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c1-2-16-7(15)4-3-5-6(13-4)14-8(17-5)9(10,11)12/h3,13H,2H2,1H3.
What are the key properties of ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 264.23 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 175975947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).