4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

C16H20FN3O2S2 — CID 30668298

IUPAC4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cs1
InChIInChI=1S/C16H20FN3O2S2/c1-12-9-14(17)3-4-16(12)24(21,22)20-7-5-19(6-8-20)10-15-11-23-13(2)18-15/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeySFNIYNXAHNDVJJ-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.41
Rot. Bonds4

About 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 30668298) has the molecular formula C16H20FN3O2S2 and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID30668298
Molecular FormulaC16H20FN3O2S2
Molecular Weight369.49 g/mol
Exact Mass369.10
IUPAC Name4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cs1
InChIInChI=1S/C16H20FN3O2S2/c1-12-9-14(17)3-4-16(12)24(21,22)20-7-5-19(6-8-20)10-15-11-23-13(2)18-15/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeySFNIYNXAHNDVJJ-UHFFFAOYSA-N
XLogP2.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 30668298) is 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2)cs1.
What is the InChIKey of 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is SFNIYNXAHNDVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S2/c1-12-9-14(17)3-4-16(12)24(21,22)20-7-5-19(6-8-20)10-15-11-23-13(2)18-15/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 369.49 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 30668298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).