2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

C15H17F3N4O3S — CID 110646169

IUPAC2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C(c1cscn1)N1CCN(C(=O)C2CCCN2C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N4O3S/c16-15(17,18)14(25)22-3-1-2-11(22)13(24)21-6-4-20(5-7-21)12(23)10-8-26-9-19-10/h8-9,11H,1-7H2
InChIKeyIJUMRGRXRRZPSZ-UHFFFAOYSA-N
MW390.39 g/mol
LogP0.98
Rot. Bonds2

About 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone

2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (PubChem CID 110646169) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
PubChem CID110646169
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
SMILESO=C(c1cscn1)N1CCN(C(=O)C2CCCN2C(=O)C(F)(F)F)CC1
InChIInChI=1S/C15H17F3N4O3S/c16-15(17,18)14(25)22-3-1-2-11(22)13(24)21-6-4-20(5-7-21)12(23)10-8-26-9-19-10/h8-9,11H,1-7H2
InChIKeyIJUMRGRXRRZPSZ-UHFFFAOYSA-N
XLogP0.98
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 96463062
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-4-carboxamide
CID 71858990
N-[(3S)-1-methyl-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 96505568
(3,3-Difluoropyrrolidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 130685234
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-N-[(3S)-1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]propanamide
CID 164635642
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carbaldehyde
CID 121307730
lithium;[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-[2-(oxomethyl)-1,3-thiazol-4-yl]methanone;hydroxide
CID 140713910
[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(2-ethyl-1,3-thiazol-4-yl)methanone
CID 159020339
[(2S)-4,4-difluoro-2-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 174870276
(4,4-Difluoropiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 174899868
4-[(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 175334756

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone (CID 110646169) is 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is O=C(c1cscn1)N1CCN(C(=O)C2CCCN2C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
The InChIKey is IJUMRGRXRRZPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c16-15(17,18)14(25)22-3-1-2-11(22)13(24)21-6-4-20(5-7-21)12(23)10-8-26-9-19-10/h8-9,11H,1-7H2.
What are the key properties of 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone?
2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone has a molecular weight of 390.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[2-[4-(1,3-thiazole-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110646169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).