N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C20H21FN4O2S2 — CID 155985087

IUPACN-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4nccs4)n3)CC2)cc1F
InChIInChI=1S/C20H21FN4O2S2/c1-14-5-6-16(13-17(14)21)29(26,27)25-10-7-15(8-11-25)18-3-2-4-19(23-18)24-20-22-9-12-28-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,22,23,24)
InChIKeyKUSXTDSVFBYTCX-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.30
Rot. Bonds5

About N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine

N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 155985087) has the molecular formula C20H21FN4O2S2 and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID155985087
Molecular FormulaC20H21FN4O2S2
Molecular Weight432.55 g/mol
Exact Mass432.11
IUPAC NameN-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4nccs4)n3)CC2)cc1F
InChIInChI=1S/C20H21FN4O2S2/c1-14-5-6-16(13-17(14)21)29(26,27)25-10-7-15(8-11-25)18-3-2-4-19(23-18)24-20-22-9-12-28-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,22,23,24)
InChIKeyKUSXTDSVFBYTCX-UHFFFAOYSA-N
XLogP4.30
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
CID 155985108
N-[6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 95835256
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 110265538
N-[6-[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]pyrazin-2-amine
CID 110093962
N-[6-[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-2-pyridinyl]-4,6-dimethylpyrimidin-2-amine
CID 95835259
N-[6-[(3R)-1-(3,4-dimethylphenyl)sulfonylpiperidin-3-yl]-2-pyridinyl]pyrazin-2-amine
CID 124964128
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868186
N-[[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-1,3-thiazol-4-yl]methyl]cyclopropanecarboxamide
CID 71830229
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110093805
6-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-N-(6-methyl-2-pyridinyl)pyrazin-2-amine
CID 95836266
[2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 42868215
2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 132771058

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 155985087) is N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine is Cc1ccc(S(=O)(=O)N2CCC(c3cccc(Nc4nccs4)n3)CC2)cc1F.
What is the InChIKey of N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is KUSXTDSVFBYTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2S2/c1-14-5-6-16(13-17(14)21)29(26,27)25-10-7-15(8-11-25)18-3-2-4-19(23-18)24-20-22-9-12-28-20/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,22,23,24).
What are the key properties of N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 432.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155985087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).