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-(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;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

C89H70Cl5F18N25O7S5 — CID 158812727

About 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-(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;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

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-(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;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 158812727) has the molecular formula C89H70Cl5F18N25O7S5 and a molecular weight of 2281.27 g/mol. Its IUPAC name is 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-(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;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 Name: 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-(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;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: 158812727
• Molecular Formula: C89H70Cl5F18N25O7S5
• Molecular Weight: 2281.27 g/mol
• Exact Mass: 2277.26
• IUPAC Name: 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-(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;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
• SMILES: O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(OC(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1
• InChI: InChI=1S/2C18H14ClF4N5O2S.2C18H14ClF4N5OS.C17H14ClF2N5OS/c19-14-13(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;19-14-13(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;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/h2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26)
• InChIKey: IUWROYVOFGVPPH-UHFFFAOYSA-N
• XLogP: 25.14
• TPSA: 373.51 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 12
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2281.27
LogP ≤ 5	25.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 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-(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;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 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-(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;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 158812727) is 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-(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;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 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-(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;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 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-(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;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 O=C(Nc1nc2cc(C(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2cc(OC(F)(F)F)ccc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)N1CCC(F)(c2nccnc2Cl)CC1.

What is the InChIKey of 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-(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;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 IUWROYVOFGVPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14ClF4N5O2S.2C18H14ClF4N5OS.C17H14ClF2N5OS/c19-14-13(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;19-14-13(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;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/h2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);2*1-2,5-6,9H,3-4,7-8H2,(H,26,27,29);1-2,5-6,9H,3-4,7-8H2,(H,23,24,26).

What are the key properties of 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-(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;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?

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-(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;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 2281.27 g/mol, XLogP of 25.14, 12 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 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-(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;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 158812727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).