2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

C13H18F3N3OS — CID 119813878

IUPAC2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)CC1CCCN1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3OS/c1-2-9(12-19-10(7-21-12)13(14,15)16)18-11(20)6-8-4-3-5-17-8/h7-9,17H,2-6H2,1H3,(H,18,20)
InChIKeyZNGKARKGCJHXEG-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.87
Rot. Bonds5

About 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide

2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (PubChem CID 119813878) has the molecular formula C13H18F3N3OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
PubChem CID119813878
Molecular FormulaC13H18F3N3OS
Molecular Weight321.37 g/mol
Exact Mass321.11
IUPAC Name2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide
SMILESCCC(NC(=O)CC1CCCN1)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C13H18F3N3OS/c1-2-9(12-19-10(7-21-12)13(14,15)16)18-11(20)6-8-4-3-5-17-8/h7-9,17H,2-6H2,1H3,(H,18,20)
InChIKeyZNGKARKGCJHXEG-UHFFFAOYSA-N
XLogP2.87
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide 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 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The IUPAC name of 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide (CID 119813878) is 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is CCC(NC(=O)CC1CCCN1)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
The InChIKey is ZNGKARKGCJHXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3OS/c1-2-9(12-19-10(7-21-12)13(14,15)16)18-11(20)6-8-4-3-5-17-8/h7-9,17H,2-6H2,1H3,(H,18,20).
What are the key properties of 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide?
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide has a molecular weight of 321.37 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]acetamide is sourced from PubChem (CID 119813878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).