5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide

C14H13ClF3N3OS — CID 46473504

IUPAC5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3N3OS/c15-11-4-3-10(23-11)13(22)20-7-1-6-19-12-5-2-9(8-21-12)14(16,17)18/h2-5,8H,1,6-7H2,(H,19,21)(H,20,22)
InChIKeySAJFTUGSLFIMSM-UHFFFAOYSA-N
MW363.79 g/mol
LogP4.05
Rot. Bonds6

About 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide

5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide (PubChem CID 46473504) has the molecular formula C14H13ClF3N3OS and a molecular weight of 363.79 g/mol. Its IUPAC name is 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide
PubChem CID46473504
Molecular FormulaC14H13ClF3N3OS
Molecular Weight363.79 g/mol
Exact Mass363.04
IUPAC Name5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide
SMILESO=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3N3OS/c15-11-4-3-10(23-11)13(22)20-7-1-6-19-12-5-2-9(8-21-12)14(16,17)18/h2-5,8H,1,6-7H2,(H,19,21)(H,20,22)
InChIKeySAJFTUGSLFIMSM-UHFFFAOYSA-N
XLogP4.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]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 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide (CID 46473504) is 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide is O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide?
The InChIKey is SAJFTUGSLFIMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N3OS/c15-11-4-3-10(23-11)13(22)20-7-1-6-19-12-5-2-9(8-21-12)14(16,17)18/h2-5,8H,1,6-7H2,(H,19,21)(H,20,22).
What are the key properties of 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide?
5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide has a molecular weight of 363.79 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 46473504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).