2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

C10H11F3N4O2S — CID 39162561

IUPAC2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(c1csc(NC(=O)C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)8(19)16-9-15-6(5-20-9)7(18)17-3-1-14-2-4-17/h5,14H,1-4H2,(H,15,16,19)
InChIKeyLSJDUOSFESCMNP-UHFFFAOYSA-N
MW308.29 g/mol
LogP0.69
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide

2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 39162561) has the molecular formula C10H11F3N4O2S and a molecular weight of 308.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
PubChem CID39162561
Molecular FormulaC10H11F3N4O2S
Molecular Weight308.29 g/mol
Exact Mass308.06
IUPAC Name2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(c1csc(NC(=O)C(F)(F)F)n1)N1CCNCC1
InChIInChI=1S/C10H11F3N4O2S/c11-10(12,13)8(19)16-9-15-6(5-20-9)7(18)17-3-1-14-2-4-17/h5,14H,1-4H2,(H,15,16,19)
InChIKeyLSJDUOSFESCMNP-UHFFFAOYSA-N
XLogP0.69
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide (CID 39162561) is 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is O=C(c1csc(NC(=O)C(F)(F)F)n1)N1CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LSJDUOSFESCMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S/c11-10(12,13)8(19)16-9-15-6(5-20-9)7(18)17-3-1-14-2-4-17/h5,14H,1-4H2,(H,15,16,19).
What are the key properties of 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide?
2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 308.29 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(piperazine-1-carbonyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 39162561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).