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

C21H23FN4O2S2 — CID 110093576

IUPACN-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)cc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H23FN4O2S2/c1-14-10-18(25-21-24-15(2)13-29-21)11-20(23-14)16-4-3-9-26(12-16)30(27,28)19-7-5-17(22)6-8-19/h5-8,10-11,13,16H,3-4,9,12H2,1-2H3,(H,23,24,25)
InChIKeySIZNSPNEQZQNCL-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.61
Rot. Bonds5

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

N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 110093576) has the molecular formula C21H23FN4O2S2 and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID110093576
Molecular FormulaC21H23FN4O2S2
Molecular Weight446.57 g/mol
Exact Mass446.12
IUPAC NameN-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1cc(Nc2nc(C)cs2)cc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H23FN4O2S2/c1-14-10-18(25-21-24-15(2)13-29-21)11-20(23-14)16-4-3-9-26(12-16)30(27,28)19-7-5-17(22)6-8-19/h5-8,10-11,13,16H,3-4,9,12H2,1-2H3,(H,23,24,25)
InChIKeySIZNSPNEQZQNCL-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

Analyze N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 51523407
2-(4-fluorophenyl)-1-[(2R)-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95832661
N-[2-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]pyrazin-2-amine
CID 110265009
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
N-(3,5-dimethylphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 1118677
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
(2S)-N,N-diethyl-2-[6-methyl-4-[(4-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 95832645
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
N-(3,5-dimethylphenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 17389324

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine (CID 110093576) is N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine is Cc1cc(Nc2nc(C)cs2)cc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is SIZNSPNEQZQNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S2/c1-14-10-18(25-21-24-15(2)13-29-21)11-20(23-14)16-4-3-9-26(12-16)30(27,28)19-7-5-17(22)6-8-19/h5-8,10-11,13,16H,3-4,9,12H2,1-2H3,(H,23,24,25).
What are the key properties of N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine?
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-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-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 110093576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).