2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid

C10H11F3N2O4S — CID 63114344

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)5-15(2-3-16)9(19)14-7-6(8(17)18)1-4-20-7/h1,4,16H,2-3,5H2,(H,14,19)(H,17,18)
InChIKeyDBNBZRRNLWLTDP-UHFFFAOYSA-N
MW312.27 g/mol
LogP1.83
Rot. Bonds5

About 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114344) has the molecular formula C10H11F3N2O4S and a molecular weight of 312.27 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114344
Molecular FormulaC10H11F3N2O4S
Molecular Weight312.27 g/mol
Exact Mass312.04
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O4S/c11-10(12,13)5-15(2-3-16)9(19)14-7-6(8(17)18)1-4-20-7/h1,4,16H,2-3,5H2,(H,14,19)(H,17,18)
InChIKeyDBNBZRRNLWLTDP-UHFFFAOYSA-N
XLogP1.83
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114344) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid is O=C(O)c1ccsc1NC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is DBNBZRRNLWLTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4S/c11-10(12,13)5-15(2-3-16)9(19)14-7-6(8(17)18)1-4-20-7/h1,4,16H,2-3,5H2,(H,14,19)(H,17,18).
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 312.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).