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

C12H9F3N2O3S2 — CID 119186748

IUPAC5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C12H9F3N2O3S2/c13-12(14,15)8-5-21-9(17-8)3-4-16-10(18)6-1-2-7(22-6)11(19)20/h1-2,5H,3-4H2,(H,16,18)(H,19,20)
InChIKeyOMVQOPNIQNFECT-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.89
Rot. Bonds5

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

5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid (PubChem CID 119186748) has the molecular formula C12H9F3N2O3S2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid
PubChem CID119186748
Molecular FormulaC12H9F3N2O3S2
Molecular Weight350.34 g/mol
Exact Mass350.00
IUPAC Name5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)s1
InChIInChI=1S/C12H9F3N2O3S2/c13-12(14,15)8-5-21-9(17-8)3-4-16-10(18)6-1-2-7(22-6)11(19)20/h1-2,5H,3-4H2,(H,16,18)(H,19,20)
InChIKeyOMVQOPNIQNFECT-UHFFFAOYSA-N
XLogP2.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid (CID 119186748) is 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)NCCc2nc(C(F)(F)F)cs2)s1.
What is the InChIKey of 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid?
The InChIKey is OMVQOPNIQNFECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O3S2/c13-12(14,15)8-5-21-9(17-8)3-4-16-10(18)6-1-2-7(22-6)11(19)20/h1-2,5H,3-4H2,(H,16,18)(H,19,20).
What are the key properties of 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid?
5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid has a molecular weight of 350.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethylcarbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119186748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).