N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide

C9H10F3N3O2S — CID 546711

IUPACN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide
SMILESCCC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C9H10F3N3O2S/c1-2-5(16)13-8(9(10,11)12)6(17)15-3-4-18-7(15)14-8/h2-4H2,1H3,(H,13,16)
InChIKeyYOTAVGXIYBZCKI-UHFFFAOYSA-N
MW281.26 g/mol
LogP0.72
Rot. Bonds2

About N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide

N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide (PubChem CID 546711) has the molecular formula C9H10F3N3O2S and a molecular weight of 281.26 g/mol. Its IUPAC name is N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide.

Molecular Properties

Compound NameN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide
PubChem CID546711
Molecular FormulaC9H10F3N3O2S
Molecular Weight281.26 g/mol
Exact Mass281.04
IUPAC NameN-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide
SMILESCCC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
InChIInChI=1S/C9H10F3N3O2S/c1-2-5(16)13-8(9(10,11)12)6(17)15-3-4-18-7(15)14-8/h2-4H2,1H3,(H,13,16)
InChIKeyYOTAVGXIYBZCKI-UHFFFAOYSA-N
XLogP0.72
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide?
The IUPAC name of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide (CID 546711) is N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide.
What is the SMILES notation for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide?
The canonical SMILES for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide is CCC(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O.
What is the InChIKey of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide?
The InChIKey is YOTAVGXIYBZCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2S/c1-2-5(16)13-8(9(10,11)12)6(17)15-3-4-18-7(15)14-8/h2-4H2,1H3,(H,13,16).
What are the key properties of N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide?
N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide has a molecular weight of 281.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-oxo-6-(trifluoromethyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]propanamide is sourced from PubChem (CID 546711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).