N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide

C9H9F6N3OS — CID 1208098

IUPACN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3OS/c1-4-3-16-6(20-4)18-7(8(10,11)12,9(13,14)15)17-5(2)19/h3H,1-2H3,(H,16,18)(H,17,19)
InChIKeyWAYUQAMHURAOCK-UHFFFAOYSA-N
MW321.25 g/mol
LogP2.82
Rot. Bonds3

About N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide

N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide (PubChem CID 1208098) has the molecular formula C9H9F6N3OS and a molecular weight of 321.25 g/mol. Its IUPAC name is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide
PubChem CID1208098
Molecular FormulaC9H9F6N3OS
Molecular Weight321.25 g/mol
Exact Mass321.04
IUPAC NameN-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide
SMILESCC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H9F6N3OS/c1-4-3-16-6(20-4)18-7(8(10,11)12,9(13,14)15)17-5(2)19/h3H,1-2H3,(H,16,18)(H,17,19)
InChIKeyWAYUQAMHURAOCK-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide?
The IUPAC name of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide (CID 1208098) is N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide.
What is the SMILES notation for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide?
The canonical SMILES for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide is CC(=O)NC(Nc1ncc(C)s1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide?
The InChIKey is WAYUQAMHURAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F6N3OS/c1-4-3-16-6(20-4)18-7(8(10,11)12,9(13,14)15)17-5(2)19/h3H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide?
N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide has a molecular weight of 321.25 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1,1,3,3,3-hexafluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propan-2-yl]acetamide is sourced from PubChem (CID 1208098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).