2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C13H19F3N4O2S — CID 120811549

IUPAC2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1
InChIInChI=1S/C13H19F3N4O2S/c1-22-7-11-19-9(8-23-11)12(21)18-6-10(13(14,15)16)20-4-2-17-3-5-20/h8,10,17H,2-7H2,1H3,(H,18,21)
InChIKeyGNHIJFIYHULVQU-UHFFFAOYSA-N
MW352.38 g/mol
LogP0.86
Rot. Bonds6

About 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 120811549) has the molecular formula C13H19F3N4O2S and a molecular weight of 352.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID120811549
Molecular FormulaC13H19F3N4O2S
Molecular Weight352.38 g/mol
Exact Mass352.12
IUPAC Name2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1
InChIInChI=1S/C13H19F3N4O2S/c1-22-7-11-19-9(8-23-11)12(21)18-6-10(13(14,15)16)20-4-2-17-3-5-20/h8,10,17H,2-7H2,1H3,(H,18,21)
InChIKeyGNHIJFIYHULVQU-UHFFFAOYSA-N
XLogP0.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-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 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 120811549) is 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)NCC(N2CCNCC2)C(F)(F)F)cs1.
What is the InChIKey of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GNHIJFIYHULVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O2S/c1-22-7-11-19-9(8-23-11)12(21)18-6-10(13(14,15)16)20-4-2-17-3-5-20/h8,10,17H,2-7H2,1H3,(H,18,21).
What are the key properties of 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120811549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).