2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide

C13H13F3N4O2S2 — CID 11211132

IUPAC2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)C(F)(F)F)n2)s1
InChIInChI=1S/C13H13F3N4O2S2/c1-6(2)8-4-17-11(24-8)19-9(21)3-7-5-23-12(18-7)20-10(22)13(14,15)16/h4-6H,3H2,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyOYFBZCDKJQUZIV-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.40
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide

2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 11211132) has the molecular formula C13H13F3N4O2S2 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide
PubChem CID11211132
Molecular FormulaC13H13F3N4O2S2
Molecular Weight378.40 g/mol
Exact Mass378.04
IUPAC Name2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)C(F)(F)F)n2)s1
InChIInChI=1S/C13H13F3N4O2S2/c1-6(2)8-4-17-11(24-8)19-9(21)3-7-5-23-12(18-7)20-10(22)13(14,15)16/h4-6H,3H2,1-2H3,(H,17,19,21)(H,18,20,22)
InChIKeyOYFBZCDKJQUZIV-UHFFFAOYSA-N
XLogP3.40
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide (CID 11211132) is 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide is CC(C)c1cnc(NC(=O)Cc2csc(NC(=O)C(F)(F)F)n2)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is OYFBZCDKJQUZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2S2/c1-6(2)8-4-17-11(24-8)19-9(21)3-7-5-23-12(18-7)20-10(22)13(14,15)16/h4-6H,3H2,1-2H3,(H,17,19,21)(H,18,20,22).
What are the key properties of 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide?
2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 378.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11211132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).