3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C10H13F3N2OS — CID 61107703

IUPAC3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C10H13F3N2OS/c1-2-4-15(6-10(11,12)13)9(16)8-7(14)3-5-17-8/h3,5H,2,4,6,14H2,1H3
InChIKeyCJPYRZKDJQQUSN-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.74
Rot. Bonds4

About 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 61107703) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID61107703
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC Name3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1sccc1N
InChIInChI=1S/C10H13F3N2OS/c1-2-4-15(6-10(11,12)13)9(16)8-7(14)3-5-17-8/h3,5H,2,4,6,14H2,1H3
InChIKeyCJPYRZKDJQQUSN-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 61107703) is 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCCN(CC(F)(F)F)C(=O)c1sccc1N.
What is the InChIKey of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is CJPYRZKDJQQUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-2-4-15(6-10(11,12)13)9(16)8-7(14)3-5-17-8/h3,5H,2,4,6,14H2,1H3.
What are the key properties of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 61107703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).