2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid

C48H53Cl2F7N8O7S2 — CID 167565669

About 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid

2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 167565669) has the molecular formula C48H53Cl2F7N8O7S2 and a molecular weight of 1122.03 g/mol. Its IUPAC name is 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
• PubChem CID: 167565669
• Molecular Formula: C48H53Cl2F7N8O7S2
• Molecular Weight: 1122.03 g/mol
• Exact Mass: 1120.27
• IUPAC Name: 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
• SMILES: CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(C(=O)C4CCC(F)(F)CC4)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.O=C(O)C(F)(F)F.O=C(O)C1CCC(F)(F)CC1
• InChI: InChI=1S/C23H25ClF2N4O2S.C16H17ClN4OS.C7H10F2O2.C2HF3O2/c1-29(2)22(32)17-4-3-16(13-18(17)24)20-28-27-19(33-20)14-7-11-30(12-8-14)21(31)15-5-9-23(25,26)10-6-15;1-21(2)16(22)12-4-3-11(9-13(12)17)15-20-19-14(23-15)10-5-7-18-8-6-10;8-7(9)3-1-5(2-4-7)6(10)11;3-2(4,5)1(6)7/h3-4,7,13,15H,5-6,8-12H2,1-2H3;3-5,9,18H,6-8H2,1-2H3;5H,1-4H2,(H,10,11);(H,6,7)
• InChIKey: RLIDFKBIYIQHEF-UHFFFAOYSA-N
• XLogP: 10.47
• TPSA: 199.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1122.03
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid (CID 167565669) is 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid is CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(C(=O)C4CCC(F)(F)CC4)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.O=C(O)C(F)(F)F.O=C(O)C1CCC(F)(F)CC1.

What is the InChIKey of 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?

The InChIKey is RLIDFKBIYIQHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N4O2S.C16H17ClN4OS.C7H10F2O2.C2HF3O2/c1-29(2)22(32)17-4-3-16(13-18(17)24)20-28-27-19(33-20)14-7-11-30(12-8-14)21(31)15-5-9-23(25,26)10-6-15;1-21(2)16(22)12-4-3-11(9-13(12)17)15-20-19-14(23-15)10-5-7-18-8-6-10;8-7(9)3-1-5(2-4-7)6(10)11;3-2(4,5)1(6)7/h3-4,7,13,15H,5-6,8-12H2,1-2H3;3-5,9,18H,6-8H2,1-2H3;5H,1-4H2,(H,10,11);(H,6,7).

What are the key properties of 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid?

2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 1122.03 g/mol, XLogP of 10.47, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[5-[1-(4,4-difluorocyclohexanecarbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3,4-thiadiazol-2-yl]-N,N-dimethylbenzamide;2-chloro-N,N-dimethyl-4-[5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3,4-thiadiazol-2-yl]benzamide;4,4-difluorocyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167565669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).