5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

C59H61F3N12O5S5 — CID 158757782

IUPAC5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cc(S(=O)(=O)c2ccccc2)cc(N2CCCCC2)n1.Nc1nc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)s1
InChIInChI=1S/C20H19F3N4O2S2.C20H22N4O2S2.C19H20N4OS/c21-20(22,23)18-17(30-19(24)26-18)15-11-14(31(28,29)13-7-3-1-4-8-13)12-16(25-15)27-9-5-2-6-10-27;1-14-19(27-20(21)22-14)17-12-16(28(25,26)15-8-4-2-5-9-15)13-18(23-17)24-10-6-3-7-11-24;20-19-21-13-17(25-19)16-11-15(24-14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,24,26);2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H2,21,22);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21)
InChIKeyIOHBDYRXNBIIBM-UHFFFAOYSA-N
MW1235.54 g/mol
LogP13.12
Rot. Bonds12

About 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine

5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 158757782) has the molecular formula C59H61F3N12O5S5 and a molecular weight of 1235.54 g/mol. Its IUPAC name is 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID158757782
Molecular FormulaC59H61F3N12O5S5
Molecular Weight1235.54 g/mol
Exact Mass1234.34
IUPAC Name5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1-c1cc(S(=O)(=O)c2ccccc2)cc(N2CCCCC2)n1.Nc1nc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)s1
InChIInChI=1S/C20H19F3N4O2S2.C20H22N4O2S2.C19H20N4OS/c21-20(22,23)18-17(30-19(24)26-18)15-11-14(31(28,29)13-7-3-1-4-8-13)12-16(25-15)27-9-5-2-6-10-27;1-14-19(27-20(21)22-14)17-12-16(28(25,26)15-8-4-2-5-9-15)13-18(23-17)24-10-6-3-7-11-24;20-19-21-13-17(25-19)16-11-15(24-14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,24,26);2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H2,21,22);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21)
InChIKeyIOHBDYRXNBIIBM-UHFFFAOYSA-N
XLogP13.12
TPSA242.63 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001235.54
LogP ≤ 513.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Analyze 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-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

4-[3-(Benzenesulfonyl)-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]morpholine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 159712114
5-[4-(Benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 161021233
5-[4-[3-[4-[6-(2-Amino-1,3-thiazol-5-yl)-4-phenoxy-2-pyridinyl]morpholin-2-yl]phenyl]sulfonyl-6-morpholin-4-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 146181380

Frequently Asked Questions

What is the IUPAC name of 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine (CID 158757782) is 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1-c1cc(S(=O)(=O)c2ccccc2)cc(N2CCCCC2)n1.Nc1nc(C(F)(F)F)c(-c2cc(S(=O)(=O)c3ccccc3)cc(N3CCCCC3)n2)s1.Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCCCC3)n2)s1.
What is the InChIKey of 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is IOHBDYRXNBIIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2S2.C20H22N4O2S2.C19H20N4OS/c21-20(22,23)18-17(30-19(24)26-18)15-11-14(31(28,29)13-7-3-1-4-8-13)12-16(25-15)27-9-5-2-6-10-27;1-14-19(27-20(21)22-14)17-12-16(28(25,26)15-8-4-2-5-9-15)13-18(23-17)24-10-6-3-7-11-24;20-19-21-13-17(25-19)16-11-15(24-14-7-3-1-4-8-14)12-18(22-16)23-9-5-2-6-10-23/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,24,26);2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H2,21,22);1,3-4,7-8,11-13H,2,5-6,9-10H2,(H2,20,21).
What are the key properties of 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine?
5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 1235.54 g/mol, XLogP of 13.12, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine;5-[4-(benzenesulfonyl)-6-piperidin-1-yl-2-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine;5-(4-phenoxy-6-piperidin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 158757782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).