2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone

C20H17F3N4O3S2 — CID 55375468

IUPAC2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C20H17F3N4O3S2/c21-14-4-5-16(19(23)18(14)22)32(29,30)27-9-7-26(8-10-27)17(28)11-13-12-31-20(25-13)15-3-1-2-6-24-15/h1-6,12H,7-11H2
InChIKeyLHACMTHFQKHWRT-UHFFFAOYSA-N
MW482.51 g/mol
LogP2.70
Rot. Bonds5

About 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone (PubChem CID 55375468) has the molecular formula C20H17F3N4O3S2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone
PubChem CID55375468
Molecular FormulaC20H17F3N4O3S2
Molecular Weight482.51 g/mol
Exact Mass482.07
IUPAC Name2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C20H17F3N4O3S2/c21-14-4-5-16(19(23)18(14)22)32(29,30)27-9-7-26(8-10-27)17(28)11-13-12-31-20(25-13)15-3-1-2-6-24-15/h1-6,12H,7-11H2
InChIKeyLHACMTHFQKHWRT-UHFFFAOYSA-N
XLogP2.70
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,3-Benzothiazol-7-ylsulfonyl)-1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]propan-1-one
CID 161179206
N-[4-({[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 3241778
N-methyl-N-phenyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16325496
2-Methyl-1-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 18144733
[1-[[2-Methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]sulfonyl]azetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705155
3-(1,3-Benzothiazol-7-ylsulfonyl)-1-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]propan-1-one
CID 162673980
N-ethyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]-N-phenylpropanamide
CID 16278388
2-[[5-(Azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 16337930
(E)-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-3-pyridin-3-ylprop-2-en-1-one
CID 32229604
N-(4-fluorophenyl)-2-((4-(2-oxo-2-((pyridin-2-ylmethyl)amino)ethyl)thiazol-2-yl)thio)acetamide
CID 16899146
2-((4-(Pyridin-3-ylsulfonyl)piperazin-1-yl)methyl)-4-(thiophen-2-yl)thiazole
CID 30868756
N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 32281014

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone (CID 55375468) is 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone is O=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone?
The InChIKey is LHACMTHFQKHWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S2/c21-14-4-5-16(19(23)18(14)22)32(29,30)27-9-7-26(8-10-27)17(28)11-13-12-31-20(25-13)15-3-1-2-6-24-15/h1-6,12H,7-11H2.
What are the key properties of 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone?
2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone has a molecular weight of 482.51 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-1-[4-(2,3,4-trifluorophenyl)sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 55375468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).