6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine

C85H112Cl3F6N23O8S7 — CID 158116292

About 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine

6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine (PubChem CID 158116292) has the molecular formula C85H112Cl3F6N23O8S7 and a molecular weight of 2028.80 g/mol. Its IUPAC name is 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine
• PubChem CID: 158116292
• Molecular Formula: C85H112Cl3F6N23O8S7
• Molecular Weight: 2028.80 g/mol
• Exact Mass: 2025.61
• IUPAC Name: 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine
• SMILES: CC(C)(C)OC(=O)N(CCCl)CCCl.CC(C)(C)OC(=O)N1CCC(C#N)(c2cscn2)CC1.CC(C)(C)OC(=O)NCC1(c2cscn2)CCN(C(=O)OC(C)(C)C)CC1.N#CCc1cscn1.NCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.NCC1(c2cscn2)CCNCC1.Nc1nc(Cl)cnc1Sc1cccnc1C(F)(F)F
• InChI: InChI=1S/C19H20F3N7S2.C19H31N3O4S.C14H19N3O2S.C10H6ClF3N4S.C9H17Cl2NO2.C9H15N3S.C5H4N2S/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13;1-17(2,3)25-15(23)20-12-19(14-11-27-13-21-14)7-9-22(10-8-19)16(24)26-18(4,5)6;1-13(2,3)19-12(18)17-6-4-14(9-15,5-7-17)11-8-20-10-16-11;11-6-4-17-9(8(15)18-6)19-5-2-1-3-16-7(5)10(12,13)14;1-9(2,3)14-8(13)12(6-4-10)7-5-11;10-6-9(1-3-11-4-2-9)8-5-13-7-12-8;6-2-1-5-3-8-4-7-5/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28);11,13H,7-10,12H2,1-6H3,(H,20,23);8,10H,4-7H2,1-3H3;1-4H,(H2,15,18);4-7H2,1-3H3;5,7,11H,1-4,6,10H2;3-4H,1H2
• InChIKey: FRAUJZLEBQMVPK-UHFFFAOYSA-N
• XLogP: 18.36
• TPSA: 435.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.80
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

The IUPAC name of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine (CID 158116292) is 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine.

What is the SMILES notation for 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

The canonical SMILES for 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine is CC(C)(C)OC(=O)N(CCCl)CCCl.CC(C)(C)OC(=O)N1CCC(C#N)(c2cscn2)CC1.CC(C)(C)OC(=O)NCC1(c2cscn2)CCN(C(=O)OC(C)(C)C)CC1.N#CCc1cscn1.NCC1(c2cscn2)CCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)CC1.NCC1(c2cscn2)CCNCC1.Nc1nc(Cl)cnc1Sc1cccnc1C(F)(F)F.

What is the InChIKey of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

The InChIKey is FRAUJZLEBQMVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N7S2.C19H31N3O4S.C14H19N3O2S.C10H6ClF3N4S.C9H17Cl2NO2.C9H15N3S.C5H4N2S/c20-19(21,22)15-12(2-1-5-25-15)31-17-16(24)28-14(8-26-17)29-6-3-18(10-23,4-7-29)13-9-30-11-27-13;1-17(2,3)25-15(23)20-12-19(14-11-27-13-21-14)7-9-22(10-8-19)16(24)26-18(4,5)6;1-13(2,3)19-12(18)17-6-4-14(9-15,5-7-17)11-8-20-10-16-11;11-6-4-17-9(8(15)18-6)19-5-2-1-3-16-7(5)10(12,13)14;1-9(2,3)14-8(13)12(6-4-10)7-5-11;10-6-9(1-3-11-4-2-9)8-5-13-7-12-8;6-2-1-5-3-8-4-7-5/h1-2,5,8-9,11H,3-4,6-7,10,23H2,(H2,24,28);11,13H,7-10,12H2,1-6H3,(H,20,23);8,10H,4-7H2,1-3H3;1-4H,(H2,15,18);4-7H2,1-3H3;5,7,11H,1-4,6,10H2;3-4H,1H2.

What are the key properties of 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine?

6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine has a molecular weight of 2028.80 g/mol, XLogP of 18.36, 18 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(aminomethyl)-4-(1,3-thiazol-4-yl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;tert-butyl N,N-bis(2-chloroethyl)carbamate;tert-butyl 4-cyano-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;tert-butyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-(1,3-thiazol-4-yl)piperidine-1-carboxylate;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;2-(1,3-thiazol-4-yl)acetonitrile;[4-(1,3-thiazol-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 158116292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).