cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate

C118H127N25O19S5 — CID 158246505

About cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate

cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate (PubChem CID 158246505) has the molecular formula C118H127N25O19S5 and a molecular weight of 2359.80 g/mol. Its IUPAC name is cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate.

Molecular Properties

• Compound Name: cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate
• PubChem CID: 158246505
• Molecular Formula: C118H127N25O19S5
• Molecular Weight: 2359.80 g/mol
• Exact Mass: 2357.83
• IUPAC Name: cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate
• SMILES: CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCN4C)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4C)cc2s1.CN1CCN(C(=O)OC2CCOCC2)c2cc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cnc21.O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1)C1CC1
• InChI: InChI=1S/C25H27N5O4S.C24H25N5O4S.C24H27N5O3S.C23H25N5O4S.C22H23N5O4S/c1-29-8-9-30(25(32)34-18-6-10-33-11-7-18)20-12-17(14-26-22(20)29)16-4-5-19-21(13-16)35-24(27-19)28-23(31)15-2-3-15;30-22(14-1-2-14)28-23-27-18-4-3-15(12-20(18)34-23)16-11-19-21(26-13-16)25-7-8-29(19)24(31)33-17-5-9-32-10-6-17;1-15(30)26-23-27-19-9-8-16(13-21(19)33-23)17-12-20-22(25-14-17)28(2)10-11-29(20)24(31)32-18-6-4-3-5-7-18;1-14(29)25-22-26-18-4-3-15(12-20(18)33-22)16-11-19-21(24-13-16)27(2)7-8-28(19)23(30)32-17-5-9-31-10-6-17;1-13(28)25-21-26-17-3-2-14(11-19(17)32-21)15-10-18-20(24-12-15)23-6-7-27(18)22(29)31-16-4-8-30-9-5-16/h4-5,12-15,18H,2-3,6-11H2,1H3,(H,27,28,31);3-4,11-14,17H,1-2,5-10H2,(H,25,26)(H,27,28,30);8-9,12-14,18H,3-7,10-11H2,1-2H3,(H,26,27,30);3-4,11-13,17H,5-10H2,1-2H3,(H,25,26,29);2-3,10-12,16H,4-9H2,1H3,(H,23,24)(H,25,26,28)
• InChIKey: GGEHPZPNLLGNPL-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 492.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 39
• Rotatable Bonds: 17
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.80
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate?

The IUPAC name of cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate (CID 158246505) is cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate.

What is the SMILES notation for cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate?

The canonical SMILES for cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate is CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCCCC3)CCN4C)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1.CC(=O)Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4C)cc2s1.CN1CCN(C(=O)OC2CCOCC2)c2cc(-c3ccc4nc(NC(=O)C5CC5)sc4c3)cnc21.O=C(Nc1nc2ccc(-c3cnc4c(c3)N(C(=O)OC3CCOCC3)CCN4)cc2s1)C1CC1.

What is the InChIKey of cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate?

The InChIKey is GGEHPZPNLLGNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O4S.C24H25N5O4S.C24H27N5O3S.C23H25N5O4S.C22H23N5O4S/c1-29-8-9-30(25(32)34-18-6-10-33-11-7-18)20-12-17(14-26-22(20)29)16-4-5-19-21(13-16)35-24(27-19)28-23(31)15-2-3-15;30-22(14-1-2-14)28-23-27-18-4-3-15(12-20(18)34-23)16-11-19-21(26-13-16)25-7-8-29(19)24(31)33-17-5-9-32-10-6-17;1-15(30)26-23-27-19-9-8-16(13-21(19)33-23)17-12-20-22(25-14-17)28(2)10-11-29(20)24(31)32-18-6-4-3-5-7-18;1-14(29)25-22-26-18-4-3-15(12-20(18)33-22)16-11-19-21(24-13-16)27(2)7-8-28(19)23(30)32-17-5-9-31-10-6-17;1-13(28)25-21-26-17-3-2-14(11-19(17)32-21)15-10-18-20(24-12-15)23-6-7-27(18)22(29)31-16-4-8-30-9-5-16/h4-5,12-15,18H,2-3,6-11H2,1H3,(H,27,28,31);3-4,11-14,17H,1-2,5-10H2,(H,25,26)(H,27,28,30);8-9,12-14,18H,3-7,10-11H2,1-2H3,(H,26,27,30);3-4,11-13,17H,5-10H2,1-2H3,(H,25,26,29);2-3,10-12,16H,4-9H2,1H3,(H,23,24)(H,25,26,28).

What are the key properties of cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate?

cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate has a molecular weight of 2359.80 g/mol, XLogP of 21.33, 17 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-(2-acetamido-1,3-benzothiazol-6-yl)-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazine-1-carboxylate;oxan-4-yl 7-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-4-methyl-2,3-dihydropyrido[2,3-b]pyrazine-1-carboxylate is sourced from PubChem (CID 158246505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).