N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C10H12F3N3OS — CID 78924513

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nc2c(s1)CCC2
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-4-8(17)16-9-15-6-2-1-3-7(6)18-9/h14H,1-5H2,(H,15,16,17)
InChIKeyFIQOXZYBPGIEGQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.72
Rot. Bonds4

About N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78924513) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78924513
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nc2c(s1)CCC2
InChIInChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-4-8(17)16-9-15-6-2-1-3-7(6)18-9/h14H,1-5H2,(H,15,16,17)
InChIKeyFIQOXZYBPGIEGQ-UHFFFAOYSA-N
XLogP1.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78924513) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1nc2c(s1)CCC2.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is FIQOXZYBPGIEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c11-10(12,13)5-14-4-8(17)16-9-15-6-2-1-3-7(6)18-9/h14H,1-5H2,(H,15,16,17).
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 279.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78924513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).