tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride

C65H67Cl7N12O9S5 — CID 167703826

About tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride

tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride (PubChem CID 167703826) has the molecular formula C65H67Cl7N12O9S5 and a molecular weight of 1568.83 g/mol. Its IUPAC name is tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride
• PubChem CID: 167703826
• Molecular Formula: C65H67Cl7N12O9S5
• Molecular Weight: 1568.83 g/mol
• Exact Mass: 1564.16
• IUPAC Name: tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride
• SMILES: CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(C(=O)OC(C)(C)C)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(S(=O)(=O)c4ccccc4Cl)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.Cl.O=S(=O)(Cl)c1ccccc1Cl
• InChI: InChI=1S/C22H20Cl2N4O3S2.C21H25ClN4O3S.C16H17ClN4OS.C6H4Cl2O2S.ClH/c1-27(2)22(29)16-8-7-15(13-18(16)24)21-26-25-20(32-21)14-9-11-28(12-10-14)33(30,31)19-6-4-3-5-17(19)23;1-21(2,3)29-20(28)26-10-8-13(9-11-26)17-23-24-18(30-17)14-6-7-15(16(22)12-14)19(27)25(4)5;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;7-5-3-1-2-4-6(5)11(8,9)10;/h3-9,13H,10-12H2,1-2H3;6-8,12H,9-11H2,1-5H3;3-5,9,18H,6-8H2,1-2H3;1-4H;1H
• InChIKey: QMOAFNGPTSHSAX-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 251.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1568.83
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride?

The IUPAC name of tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride (CID 167703826) is tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride.

What is the SMILES notation for tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride?

The canonical SMILES for tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride is CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(C(=O)OC(C)(C)C)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCN(S(=O)(=O)c4ccccc4Cl)CC3)s2)cc1Cl.CN(C)C(=O)c1ccc(-c2nnc(C3=CCNCC3)s2)cc1Cl.Cl.O=S(=O)(Cl)c1ccccc1Cl.

What is the InChIKey of tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride?

The InChIKey is QMOAFNGPTSHSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O3S2.C21H25ClN4O3S.C16H17ClN4OS.C6H4Cl2O2S.ClH/c1-27(2)22(29)16-8-7-15(13-18(16)24)21-26-25-20(32-21)14-9-11-28(12-10-14)33(30,31)19-6-4-3-5-17(19)23;1-21(2,3)29-20(28)26-10-8-13(9-11-26)17-23-24-18(30-17)14-6-7-15(16(22)12-14)19(27)25(4)5;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;7-5-3-1-2-4-6(5)11(8,9)10;/h3-9,13H,10-12H2,1-2H3;6-8,12H,9-11H2,1-5H3;3-5,9,18H,6-8H2,1-2H3;1-4H;1H.

What are the key properties of tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride?

tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride has a molecular weight of 1568.83 g/mol, XLogP of 14.90, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[3-chloro-4-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate;2-chlorobenzenesulfonyl chloride;2-chloro-4-[5-[1-(2-chlorophenyl)sulfonyl-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;hydrochloride is sourced from PubChem (CID 167703826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).