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

C7H3F3N2O2S — CID 82389311

IUPAC2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cc2sc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C7H3F3N2O2S/c8-7(9,10)6-12-4-3(15-6)1-2(11-4)5(13)14/h1,11H,(H,13,14)
InChIKeyIHSDTULDRQJZAK-UHFFFAOYSA-N
MW236.17 g/mol
LogP2.34
Rot. Bonds1

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

2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (PubChem CID 82389311) has the molecular formula C7H3F3N2O2S and a molecular weight of 236.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
PubChem CID82389311
Molecular FormulaC7H3F3N2O2S
Molecular Weight236.17 g/mol
Exact Mass235.99
IUPAC Name2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
SMILESO=C(O)c1cc2sc(C(F)(F)F)nc2[nH]1
InChIInChI=1S/C7H3F3N2O2S/c8-7(9,10)6-12-4-3(15-6)1-2(11-4)5(13)14/h1,11H,(H,13,14)
InChIKeyIHSDTULDRQJZAK-UHFFFAOYSA-N
XLogP2.34
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.17
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid 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

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
6-(3-fluorophenyl)sulfanyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 142758590
2-(2-fluorophenyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 156196462
4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid;4-(trifluoromethyl)aniline
CID 160216431
ethyl 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 175975947
2-phenyl-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid
CID 82385792
2-Methyl-4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid
CID 92134096
Methyl 2-bromo-4H-pyrrolo[2,3-d]thiazole-5-carboxylate
CID 92134098
Ethyl 2-methyl-4H-pyrrolo[2,3-d]thiazole-5-carboxylate
CID 92134718
2-Bromo-4H-pyrrolo[2,3-d]thiazole-5-carboxylic acid
CID 92134720

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid (CID 82389311) is 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is O=C(O)c1cc2sc(C(F)(F)F)nc2[nH]1.
What is the InChIKey of 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
The InChIKey is IHSDTULDRQJZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2S/c8-7(9,10)6-12-4-3(15-6)1-2(11-4)5(13)14/h1,11H,(H,13,14).
What are the key properties of 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid?
2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid has a molecular weight of 236.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4H-pyrrolo[2,3-d][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82389311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).