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

C13H11F3N2O4S — CID 120821934

IUPAC2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1C(=O)O
InChIInChI=1S/C13H11F3N2O4S/c1-2-7-6(12(20)21)3-8(22-7)11(19)17-4-10-18-9(5-23-10)13(14,15)16/h3,5H,2,4H2,1H3,(H,17,19)(H,20,21)
InChIKeyJDAUSZKEKGWOJA-UHFFFAOYSA-N
MW348.30 g/mol
LogP2.95
Rot. Bonds5

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

2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120821934) has the molecular formula C13H11F3N2O4S and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120821934
Molecular FormulaC13H11F3N2O4S
Molecular Weight348.30 g/mol
Exact Mass348.04
IUPAC Name2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1C(=O)O
InChIInChI=1S/C13H11F3N2O4S/c1-2-7-6(12(20)21)3-8(22-7)11(19)17-4-10-18-9(5-23-10)13(14,15)16/h3,5H,2,4H2,1H3,(H,17,19)(H,20,21)
InChIKeyJDAUSZKEKGWOJA-UHFFFAOYSA-N
XLogP2.95
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
2,4-difluoro-5-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122145800
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
4-(dimethylamino)-2-fluoro-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 122157606
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 120634282
2-ethyl-5-[2-[2-(trifluoromethyl)phenoxy]ethylcarbamoyl]furan-3-carboxylic acid
CID 120821740
N-ethyl-3-[[[N'-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111615643

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid (CID 120821934) is 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCc2nc(C(F)(F)F)cs2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is JDAUSZKEKGWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O4S/c1-2-7-6(12(20)21)3-8(22-7)11(19)17-4-10-18-9(5-23-10)13(14,15)16/h3,5H,2,4H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 348.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120821934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).