N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

C14H20F3N5O2S — CID 55716183

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(CCCNC(=O)Cc1csc(N2CCNC2=O)n1)CC(F)(F)F
InChIInChI=1S/C14H20F3N5O2S/c1-21(9-14(15,16)17)5-2-3-18-11(23)7-10-8-25-13(20-10)22-6-4-19-12(22)24/h8H,2-7,9H2,1H3,(H,18,23)(H,19,24)
InChIKeyUVIHLACUKQKXJK-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.22
Rot. Bonds8

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 55716183) has the molecular formula C14H20F3N5O2S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID55716183
Molecular FormulaC14H20F3N5O2S
Molecular Weight379.41 g/mol
Exact Mass379.13
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN(CCCNC(=O)Cc1csc(N2CCNC2=O)n1)CC(F)(F)F
InChIInChI=1S/C14H20F3N5O2S/c1-21(9-14(15,16)17)5-2-3-18-11(23)7-10-8-25-13(20-10)22-6-4-19-12(22)24/h8H,2-7,9H2,1H3,(H,18,23)(H,19,24)
InChIKeyUVIHLACUKQKXJK-UHFFFAOYSA-N
XLogP1.22
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide (CID 55716183) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is CN(CCCNC(=O)Cc1csc(N2CCNC2=O)n1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is UVIHLACUKQKXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O2S/c1-21(9-14(15,16)17)5-2-3-18-11(23)7-10-8-25-13(20-10)22-6-4-19-12(22)24/h8H,2-7,9H2,1H3,(H,18,23)(H,19,24).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 379.41 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 55716183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).