N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide

C106H91Cl6F13N30O6S6 — CID 158821402

IUPACN-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2c1.Cc1ccc2sc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)nc2c1.O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccccc2s1)N1CCC(F)(c2nccnc2Cl)CC1
InChIInChI=1S/2C18H14ClF4N5OS.2C18H17ClFN5OS.C17H14ClF2N5OS.C17H15ClFN5OS/c19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(18(21,22)23)1-2-12(11)30-15;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(18(21,22)23)9-12(11)30-15;1-11-2-3-13-12(10-11)23-16(27-13)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;1-11-2-3-12-13(10-11)27-16(23-12)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;18-14-13(21-5-6-22-14)17(20)3-7-25(8-4-17)16(26)24-15-23-11-9-10(19)1-2-12(11)27-15;18-14-13(20-7-8-21-14)17(19)5-9-24(10-6-17)16(25)23-15-22-11-3-1-2-4-12(11)26-15/h2*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);1-4,7-8H,5-6,9-10H2,(H,22,23,25)
InChIKeyIVXLXMCAJGIOBC-UHFFFAOYSA-N
MW2533.19 g/mol
LogP28.19
Rot. Bonds12

About N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide (PubChem CID 158821402) has the molecular formula C106H91Cl6F13N30O6S6 and a molecular weight of 2533.19 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
PubChem CID158821402
Molecular FormulaC106H91Cl6F13N30O6S6
Molecular Weight2533.19 g/mol
Exact Mass2528.40
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
SMILESCc1ccc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2c1.Cc1ccc2sc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)nc2c1.O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccccc2s1)N1CCC(F)(c2nccnc2Cl)CC1
InChIInChI=1S/2C18H14ClF4N5OS.2C18H17ClFN5OS.C17H14ClF2N5OS.C17H15ClFN5OS/c19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(18(21,22)23)1-2-12(11)30-15;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(18(21,22)23)9-12(11)30-15;1-11-2-3-13-12(10-11)23-16(27-13)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;1-11-2-3-12-13(10-11)27-16(23-12)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;18-14-13(21-5-6-22-14)17(20)3-7-25(8-4-17)16(26)24-15-23-11-9-10(19)1-2-12(11)27-15;18-14-13(20-7-8-21-14)17(19)5-9-24(10-6-17)16(25)23-15-22-11-3-1-2-4-12(11)26-15/h2*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);1-4,7-8H,5-6,9-10H2,(H,22,23,25)
InChIKeyIVXLXMCAJGIOBC-UHFFFAOYSA-N
XLogP28.19
TPSA426.06 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002533.19
LogP ≤ 528.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide (CID 158821402) is N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide is Cc1ccc2nc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)sc2c1.Cc1ccc2sc(NC(=O)N3CCC(F)(c4nccnc4Cl)CC3)nc2c1.O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
The InChIKey is IVXLXMCAJGIOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14ClF4N5OS.2C18H17ClFN5OS.C17H14ClF2N5OS.C17H15ClFN5OS/c19-14-13(24-5-6-25-14)17(20)3-7-28(8-4-17)16(29)27-15-26-11-9-10(18(21,22)23)1-2-12(11)30-15;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(18(21,22)23)9-12(11)30-15;1-11-2-3-13-12(10-11)23-16(27-13)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;1-11-2-3-12-13(10-11)27-16(23-12)24-17(26)25-8-4-18(20,5-9-25)14-15(19)22-7-6-21-14;18-14-13(21-5-6-22-14)17(20)3-7-25(8-4-17)16(26)24-15-23-11-9-10(19)1-2-12(11)27-15;18-14-13(20-7-8-21-14)17(19)5-9-24(10-6-17)16(25)23-15-22-11-3-1-2-4-12(11)26-15/h2*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);1-4,7-8H,5-6,9-10H2,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide has a molecular weight of 2533.19 g/mol, XLogP of 28.19, 12 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(3-chloropyrazin-2-yl)-4-fluoropiperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-fluoro-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(5-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide;4-(3-chloropyrazin-2-yl)-4-fluoro-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 158821402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).