N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide

C108H95Cl7F12N30O10S6 — CID 159177862

About N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide

N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide (PubChem CID 159177862) has the molecular formula C108H95Cl7F12N30O10S6 and a molecular weight of 2641.70 g/mol. Its IUPAC name is N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
• PubChem CID: 159177862
• Molecular Formula: C108H95Cl7F12N30O10S6
• Molecular Weight: 2641.70 g/mol
• Exact Mass: 2636.38
• IUPAC Name: N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
• SMILES: COc1ccc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2c1.COc1ccc2sc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)nc2c1.Cc1cc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2cc1C.O=C(Nc1nc2cc(Cl)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(OC(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1
• InChI: InChI=1S/C19H19ClFN5OS.2C18H14ClF4N5O2S.2C18H17ClFN5O2S.C17H14Cl2FN5OS/c1-11-9-13-14(10-12(11)2)28-17(24-13)25-18(27)26-7-3-19(21,4-8-26)15-16(20)23-6-5-22-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(30-18(21,22)23)1-2-12(11)31-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-2-1-10(9-12(11)31-15)30-18(21,22)23;1-27-11-2-3-13-12(10-11)23-16(28-13)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;1-27-11-2-3-12-13(10-11)28-16(23-12)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;18-10-1-2-12-11(9-10)23-15(27-12)24-16(26)25-7-3-17(20,4-8-25)13-14(19)22-6-5-21-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,24,25,27);2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);2*2-3,6-7,10H,4-5,8-9H2,1H3,(H,23,24,26);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26)
• InChIKey: KMMWHCZHSQGJDJ-UHFFFAOYSA-N
• XLogP: 28.48
• TPSA: 462.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 16
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2641.70
LogP ≤ 5	28.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?

The IUPAC name of N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide (CID 159177862) is N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?

The canonical SMILES for N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide is COc1ccc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2c1.COc1ccc2sc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)nc2c1.Cc1cc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2cc1C.O=C(Nc1nc2cc(Cl)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(OC(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.

What is the InChIKey of N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?

The InChIKey is KMMWHCZHSQGJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5OS.2C18H14ClF4N5O2S.2C18H17ClFN5O2S.C17H14Cl2FN5OS/c1-11-9-13-14(10-12(11)2)28-17(24-13)25-18(27)26-7-3-19(21,4-8-26)15-16(20)23-6-5-22-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(30-18(21,22)23)1-2-12(11)31-15;19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-2-1-10(9-12(11)31-15)30-18(21,22)23;1-27-11-2-3-13-12(10-11)23-16(28-13)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;1-27-11-2-3-12-13(10-11)28-16(23-12)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;18-10-1-2-12-11(9-10)23-15(27-12)24-16(26)25-7-3-17(20,4-8-25)13-14(19)22-6-5-21-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,24,25,27);2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);2*2-3,6-7,10H,4-5,8-9H2,1H3,(H,23,24,26);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26).

What are the key properties of N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?

N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 2641.70 g/mol, XLogP of 28.48, 16 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 159177862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).