5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid

C9H4F3NO2S2 — CID 139808548

IUPAC5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C9H4F3NO2S2/c10-9(11,12)6-3-16-7(13-6)4-1-2-5(17-4)8(14)15/h1-3H,(H,14,15)
InChIKeyOSHGIFBPTUSMGM-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.59
Rot. Bonds2

About 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid

5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid (PubChem CID 139808548) has the molecular formula C9H4F3NO2S2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid
PubChem CID139808548
Molecular FormulaC9H4F3NO2S2
Molecular Weight279.26 g/mol
Exact Mass278.96
IUPAC Name5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C9H4F3NO2S2/c10-9(11,12)6-3-16-7(13-6)4-1-2-5(17-4)8(14)15/h1-3H,(H,14,15)
InChIKeyOSHGIFBPTUSMGM-UHFFFAOYSA-N
XLogP3.59
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid (CID 139808548) is 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid is O=C(O)c1ccc(-c2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid?
The InChIKey is OSHGIFBPTUSMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2S2/c10-9(11,12)6-3-16-7(13-6)4-1-2-5(17-4)8(14)15/h1-3H,(H,14,15).
What are the key properties of 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid?
5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]thiophene-2-carboxylic acid is sourced from PubChem (CID 139808548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).