3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide

C17H20FN3O2S2 — CID 133383433

IUPAC3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)C1
InChIInChI=1S/C17H20FN3O2S2/c18-14-3-1-13(2-4-14)16-11-24-17(19-16)21-8-6-20(7-9-21)15-5-10-25(22,23)12-15/h1-4,11,15H,5-10,12H2
InChIKeyLGIVQULJSQDAOG-UHFFFAOYSA-N
MW381.50 g/mol
LogP2.26
Rot. Bonds3

About 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide

3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide (PubChem CID 133383433) has the molecular formula C17H20FN3O2S2 and a molecular weight of 381.50 g/mol. Its IUPAC name is 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide
PubChem CID133383433
Molecular FormulaC17H20FN3O2S2
Molecular Weight381.50 g/mol
Exact Mass381.10
IUPAC Name3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)C1
InChIInChI=1S/C17H20FN3O2S2/c18-14-3-1-13(2-4-14)16-11-24-17(19-16)21-8-6-20(7-9-21)15-5-10-25(22,23)12-15/h1-4,11,15H,5-10,12H2
InChIKeyLGIVQULJSQDAOG-UHFFFAOYSA-N
XLogP2.26
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]thiolane 1,1-dioxide
CID 7304650
4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 56810040
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
(1S,5R)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72892934
cyclopropyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133499169
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(4-chlorophenyl)-1,3-thiazole
CID 565978
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide (CID 133383433) is 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)C1.
What is the InChIKey of 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide?
The InChIKey is LGIVQULJSQDAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S2/c18-14-3-1-13(2-4-14)16-11-24-17(19-16)21-8-6-20(7-9-21)15-5-10-25(22,23)12-15/h1-4,11,15H,5-10,12H2.
What are the key properties of 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide?
3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide has a molecular weight of 381.50 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 133383433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).