N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

C21H23FN4O2S2 — CID 155985108

IUPACN-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)n2)s1
InChIInChI=1S/C21H23FN4O2S2/c1-14-12-17(6-7-18(14)22)30(27,28)26-10-8-16(9-11-26)19-4-3-5-20(24-19)25-21-23-13-15(2)29-21/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,24,25)
InChIKeyDYMHXXMALITOSH-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.61
Rot. Bonds5

About N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine

N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 155985108) has the molecular formula C21H23FN4O2S2 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID155985108
Molecular FormulaC21H23FN4O2S2
Molecular Weight446.57 g/mol
Exact Mass446.12
IUPAC NameN-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)n2)s1
InChIInChI=1S/C21H23FN4O2S2/c1-14-12-17(6-7-18(14)22)30(27,28)26-10-8-16(9-11-26)19-4-3-5-20(24-19)25-21-23-13-15(2)29-21/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,24,25)
InChIKeyDYMHXXMALITOSH-UHFFFAOYSA-N
XLogP4.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine (CID 155985108) is N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2cccc(C3CCN(S(=O)(=O)c4ccc(F)c(C)c4)CC3)n2)s1.
What is the InChIKey of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is DYMHXXMALITOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S2/c1-14-12-17(6-7-18(14)22)30(27,28)26-10-8-16(9-11-26)19-4-3-5-20(24-19)25-21-23-13-15(2)29-21/h3-7,12-13,16H,8-11H2,1-2H3,(H,23,24,25).
What are the key properties of N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine?
N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 446.57 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-2-pyridinyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155985108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).