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

C22H24FN3O2S2 — CID 78870604

IUPACN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(NCc3csc(-c4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C22H24FN3O2S2/c1-16-2-8-21(9-3-16)30(27,28)26-12-10-19(11-13-26)24-14-20-15-29-22(25-20)17-4-6-18(23)7-5-17/h2-9,15,19,24H,10-14H2,1H3
InChIKeyLJDDZGSESOFNIP-UHFFFAOYSA-N
MW445.59 g/mol
LogP4.20
Rot. Bonds6

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

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 78870604) has the molecular formula C22H24FN3O2S2 and a molecular weight of 445.59 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID78870604
Molecular FormulaC22H24FN3O2S2
Molecular Weight445.59 g/mol
Exact Mass445.13
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine
SMILESCc1ccc(S(=O)(=O)N2CCC(NCc3csc(-c4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C22H24FN3O2S2/c1-16-2-8-21(9-3-16)30(27,28)26-12-10-19(11-13-26)24-14-20-15-29-22(25-20)17-4-6-18(23)7-5-17/h2-9,15,19,24H,10-14H2,1H3
InChIKeyLJDDZGSESOFNIP-UHFFFAOYSA-N
XLogP4.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-4-methylcyclohexan-1-amine
CID 43407865
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86772200
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119154892
2-(4-methoxyphenyl)-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 26575815
1-(4-fluorophenyl)sulfonyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]piperidine-4-carboxamide
CID 24509082
5-(4-fluorophenyl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 50835872
[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methanone
CID 26766188
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
4-[[4-(3,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(4-methoxyphenyl)-1,3-thiazole
CID 31112463
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanesulfonamide
CID 17484951
1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]piperidine-4-carboxylic acid
CID 167475876

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine (CID 78870604) is N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine is Cc1ccc(S(=O)(=O)N2CCC(NCc3csc(-c4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is LJDDZGSESOFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2S2/c1-16-2-8-21(9-3-16)30(27,28)26-12-10-19(11-13-26)24-14-20-15-29-22(25-20)17-4-6-18(23)7-5-17/h2-9,15,19,24H,10-14H2,1H3.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine?
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 445.59 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-1-(4-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 78870604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).