[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

C21H27FN4O4S2 — CID 55617537

IUPAC[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C21H27FN4O4S2/c1-14-12-26(13-15(2)30-14)32(28,29)25-10-8-24(9-11-25)21(27)19-16(3)23-20(31-19)17-4-6-18(22)7-5-17/h4-7,14-15H,8-13H2,1-3H3
InChIKeyIFPGGBVDHZGXOW-UHFFFAOYSA-N
MW482.60 g/mol
LogP2.37
Rot. Bonds4

About [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (PubChem CID 55617537) has the molecular formula C21H27FN4O4S2 and a molecular weight of 482.60 g/mol. Its IUPAC name is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
PubChem CID55617537
Molecular FormulaC21H27FN4O4S2
Molecular Weight482.60 g/mol
Exact Mass482.15
IUPAC Name[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
SMILESCc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1
InChIInChI=1S/C21H27FN4O4S2/c1-14-12-26(13-15(2)30-14)32(28,29)25-10-8-24(9-11-25)21(27)19-16(3)23-20(31-19)17-4-6-18(22)7-5-17/h4-7,14-15H,8-13H2,1-3H3
InChIKeyIFPGGBVDHZGXOW-UHFFFAOYSA-N
XLogP2.37
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 27661495
(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59338746
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone;dihydrochloride
CID 120658164
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 119519108
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 8512396
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 26721215
N,N-diethyl-2-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide
CID 30888615
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
1-(azepan-1-yl)-2-[4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 17401487
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 53031125

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone (CID 55617537) is [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCN(S(=O)(=O)N2CC(C)OC(C)C2)CC1.
What is the InChIKey of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
The InChIKey is IFPGGBVDHZGXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O4S2/c1-14-12-26(13-15(2)30-14)32(28,29)25-10-8-24(9-11-25)21(27)19-16(3)23-20(31-19)17-4-6-18(22)7-5-17/h4-7,14-15H,8-13H2,1-3H3.
What are the key properties of [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone?
[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone has a molecular weight of 482.60 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 55617537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).