[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone

C21H19F2N3O3S2 — CID 26814306

IUPAC[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H19F2N3O3S2/c1-14-19(30-20(24-14)15-5-3-2-4-6-15)21(27)25-9-11-26(12-10-25)31(28,29)18-8-7-16(22)13-17(18)23/h2-8,13H,9-12H2,1H3
InChIKeyVBVQWVXNURCYHO-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.54
Rot. Bonds4

About [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone

[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 26814306) has the molecular formula C21H19F2N3O3S2 and a molecular weight of 463.53 g/mol. Its IUPAC name is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID26814306
Molecular FormulaC21H19F2N3O3S2
Molecular Weight463.53 g/mol
Exact Mass463.08
IUPAC Name[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2ccccc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H19F2N3O3S2/c1-14-19(30-20(24-14)15-5-3-2-4-6-15)21(27)25-9-11-26(12-10-25)31(28,29)18-8-7-16(22)13-17(18)23/h2-8,13H,9-12H2,1H3
InChIKeyVBVQWVXNURCYHO-UHFFFAOYSA-N
XLogP3.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 27669252
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30702624
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methoxy-5-phenylthiophen-2-yl)methanone
CID 55824955
(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 22628161
(4-benzylsulfonylpiperazin-1-yl)-[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 27757478
(3-chloro-6-fluoro-1-benzothiophen-2-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 27163870
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 25478969
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 55617537
1-[2-(3-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidine-4-carboxylic acid
CID 51053925
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 55813581
[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24680704

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone (CID 26814306) is [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2ccccc2)sc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is VBVQWVXNURCYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3S2/c1-14-19(30-20(24-14)15-5-3-2-4-6-15)21(27)25-9-11-26(12-10-25)31(28,29)18-8-7-16(22)13-17(18)23/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone?
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 463.53 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 26814306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).