1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone

C13H15F2N3O2S — CID 67468605

IUPAC1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(OC2=NCCN2CC2CC2(F)F)nc1C
InChIInChI=1S/C13H15F2N3O2S/c1-7-10(8(2)19)21-12(17-7)20-11-16-3-4-18(11)6-9-5-13(9,14)15/h9H,3-6H2,1-2H3
InChIKeyHQELTIKZCRKJLT-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone

1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone (PubChem CID 67468605) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone
PubChem CID67468605
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(OC2=NCCN2CC2CC2(F)F)nc1C
InChIInChI=1S/C13H15F2N3O2S/c1-7-10(8(2)19)21-12(17-7)20-11-16-3-4-18(11)6-9-5-13(9,14)15/h9H,3-6H2,1-2H3
InChIKeyHQELTIKZCRKJLT-UHFFFAOYSA-N
XLogP2.36
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone (CID 67468605) is 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(OC2=NCCN2CC2CC2(F)F)nc1C.
What is the InChIKey of 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone?
The InChIKey is HQELTIKZCRKJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-7-10(8(2)19)21-12(17-7)20-11-16-3-4-18(11)6-9-5-13(9,14)15/h9H,3-6H2,1-2H3.
What are the key properties of 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone?
1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone has a molecular weight of 315.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(2,2-difluorocyclopropyl)methyl]-4,5-dihydroimidazol-2-yl]oxy]-4-methyl-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 67468605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).