3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane

C148H192F8N20O7S7 — CID 163666004

About 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane

3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane (PubChem CID 163666004) has the molecular formula C148H192F8N20O7S7 and a molecular weight of 2739.75 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane
• PubChem CID: 163666004
• Molecular Formula: C148H192F8N20O7S7
• Molecular Weight: 2739.75 g/mol
• Exact Mass: 2737.32
• IUPAC Name: 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane
• SMILES: C.CCOC(=O)N1CCN(C(=S)Nc2cc(C)cc(C)n2)CC1.Cc1cc(C)nc(CC(=S)N2CCC(C(=O)N3CCCCC3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCC(C(=O)N3CCCCC3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCC(CC(=O)c3cccc(C(C)(F)F)c3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCC(Cc3ccc(C(C)(F)F)cc3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCCC(NC(=O)c3cccc(C(C)(F)F)c3)C2)c1.Cc1cc(C)nc(CC(=S)N2CCN(C(=O)c3cccc(C(C)(F)F)c3)CC2)c1
• InChI: InChI=1S/C24H28F2N2OS.C23H27F2N3OS.C23H28F2N2S.C22H25F2N3OS.2C20H29N3OS.C15H22N4O2S.CH4/c1-16-11-17(2)27-21(12-16)15-23(30)28-9-7-18(8-10-28)13-22(29)19-5-4-6-20(14-19)24(3,25)26;1-15-10-16(2)26-20(11-15)13-21(30)28-9-5-8-19(14-28)27-22(29)17-6-4-7-18(12-17)23(3,24)25;1-16-12-17(2)26-21(13-16)15-22(28)27-10-8-19(9-11-27)14-18-4-6-20(7-5-18)23(3,24)25;1-15-11-16(2)25-19(12-15)14-20(29)26-7-9-27(10-8-26)21(28)17-5-4-6-18(13-17)22(3,23)24;2*1-15-12-16(2)21-18(13-15)14-19(25)22-10-6-17(7-11-22)20(24)23-8-4-3-5-9-23;1-4-21-15(20)19-7-5-18(6-8-19)14(22)17-13-10-11(2)9-12(3)16-13;/h4-6,11-12,14,18H,7-10,13,15H2,1-3H3;4,6-7,10-12,19H,5,8-9,13-14H2,1-3H3,(H,27,29);4-7,12-13,19H,8-11,14-15H2,1-3H3;4-6,11-13H,7-10,14H2,1-3H3;2*12-13,17H,3-11,14H2,1-2H3;9-10H,4-8H2,1-3H3,(H,16,17,22);1H4
• InChIKey: IYMODZZRORIKDC-UHFFFAOYSA-N
• XLogP: 29.40
• TPSA: 261.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 28
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2739.75
LogP ≤ 5	29.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane?

The IUPAC name of 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane (CID 163666004) is 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane.

What is the SMILES notation for 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane?

The canonical SMILES for 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane is C.CCOC(=O)N1CCN(C(=S)Nc2cc(C)cc(C)n2)CC1.Cc1cc(C)nc(CC(=S)N2CCC(C(=O)N3CCCCC3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCC(C(=O)N3CCCCC3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCC(CC(=O)c3cccc(C(C)(F)F)c3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCC(Cc3ccc(C(C)(F)F)cc3)CC2)c1.Cc1cc(C)nc(CC(=S)N2CCCC(NC(=O)c3cccc(C(C)(F)F)c3)C2)c1.Cc1cc(C)nc(CC(=S)N2CCN(C(=O)c3cccc(C(C)(F)F)c3)CC2)c1.

What is the InChIKey of 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane?

The InChIKey is IYMODZZRORIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2OS.C23H27F2N3OS.C23H28F2N2S.C22H25F2N3OS.2C20H29N3OS.C15H22N4O2S.CH4/c1-16-11-17(2)27-21(12-16)15-23(30)28-9-7-18(8-10-28)13-22(29)19-5-4-6-20(14-19)24(3,25)26;1-15-10-16(2)26-20(11-15)13-21(30)28-9-5-8-19(14-28)27-22(29)17-6-4-7-18(12-17)23(3,24)25;1-16-12-17(2)26-21(13-16)15-22(28)27-10-8-19(9-11-27)14-18-4-6-20(7-5-18)23(3,24)25;1-15-11-16(2)25-19(12-15)14-20(29)26-7-9-27(10-8-26)21(28)17-5-4-6-18(13-17)22(3,23)24;2*1-15-12-16(2)21-18(13-15)14-19(25)22-10-6-17(7-11-22)20(24)23-8-4-3-5-9-23;1-4-21-15(20)19-7-5-18(6-8-19)14(22)17-13-10-11(2)9-12(3)16-13;/h4-6,11-12,14,18H,7-10,13,15H2,1-3H3;4,6-7,10-12,19H,5,8-9,13-14H2,1-3H3,(H,27,29);4-7,12-13,19H,8-11,14-15H2,1-3H3;4-6,11-13H,7-10,14H2,1-3H3;2*12-13,17H,3-11,14H2,1-2H3;9-10H,4-8H2,1-3H3,(H,16,17,22);1H4.

What are the key properties of 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane?

3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane has a molecular weight of 2739.75 g/mol, XLogP of 29.40, 28 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-N-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-3-yl]benzamide;[3-(1,1-difluoroethyl)phenyl]-[4-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperazin-1-yl]methanone;1-[3-(1,1-difluoroethyl)phenyl]-2-[1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]ethanone;1-[4-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-1-yl]-2-(4,6-dimethyl-2-pyridinyl)ethanethione;bis([1-[2-(4,6-dimethyl-2-pyridinyl)ethanethioyl]piperidin-4-yl]-piperidin-1-ylmethanone);ethyl 4-[(4,6-dimethyl-2-pyridinyl)carbamothioyl]piperazine-1-carboxylate;methane is sourced from PubChem (CID 163666004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).