2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

C15H19F3N6OS — CID 46968845

IUPAC2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(C)c1nccn1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H19F3N6OS/c1-10(2)12-19-3-4-24(12)9-11(25)22-5-7-23(8-6-22)14-21-20-13(26-14)15(16,17)18/h3-4,10H,5-9H2,1-2H3
InChIKeyUTIZGFJQTCXVFZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.23
Rot. Bonds4

About 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone

2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (PubChem CID 46968845) has the molecular formula C15H19F3N6OS and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
PubChem CID46968845
Molecular FormulaC15H19F3N6OS
Molecular Weight388.42 g/mol
Exact Mass388.13
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone
SMILESCC(C)c1nccn1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C15H19F3N6OS/c1-10(2)12-19-3-4-24(12)9-11(25)22-5-7-23(8-6-22)14-21-20-13(26-14)15(16,17)18/h3-4,10H,5-9H2,1-2H3
InChIKeyUTIZGFJQTCXVFZ-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-(2-ethylimidazol-1-yl)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]butan-1-one
CID 164638405
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 71992774
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(4,4,4-trifluorobutanoyl)piperidine
CID 72851930
3-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72854552
4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(4,4,4-trifluorobutanoyl)piperidine
CID 72885305
4-{4-ethyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72896525
4-[4-ethyl-5-(1H-imidazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72898822
4-{4-methyl-5-[(2-methyl-1H-imidazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72915265
3-[5-(1H-imidazol-1-ylmethyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-(3,3,3-trifluoropropanoyl)piperidine
CID 72928935
4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide
CID 75428520
1-[(2-methyl-1H-imidazol-1-yl)acetyl]-4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazine
CID 90652833
3,3,3-trifluoro-1-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]propan-1-one
CID 97190397

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone (CID 46968845) is 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is CC(C)c1nccn1CC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is UTIZGFJQTCXVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6OS/c1-10(2)12-19-3-4-24(12)9-11(25)22-5-7-23(8-6-22)14-21-20-13(26-14)15(16,17)18/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone?
2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 388.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-1-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 46968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).