2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C70H87N17O4S3 — CID 157077636

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 157077636) has the molecular formula C70H87N17O4S3 and a molecular weight of 1326.78 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157077636
• Molecular Formula: C70H87N17O4S3
• Molecular Weight: 1326.78 g/mol
• Exact Mass: 1325.63
• IUPAC Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
• SMILES: C.C.C.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCCc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCOCC2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3c(-c4ccccc4)n[nH]c3C2)n1
• InChI: InChI=1S/C26H27N7OS.C23H25N5OS.C18H23N5O2S.3CH4/c34-25(28-20-8-4-5-9-23(20)32-14-11-27-12-15-32)22-17-35-26(29-22)33-13-10-19-21(16-33)30-31-24(19)18-6-2-1-3-7-18;29-22(25-18-8-2-4-10-21(18)27-14-11-24-12-15-27)19-16-30-23(26-19)28-13-5-7-17-6-1-3-9-20(17)28;24-17(15-13-26-18(21-15)23-9-11-25-12-10-23)20-14-3-1-2-4-16(14)22-7-5-19-6-8-22;;;/h1-9,17,27H,10-16H2,(H,28,34)(H,30,31);1-4,6,8-10,16,24H,5,7,11-15H2,(H,25,29);1-4,13,19H,5-12H2,(H,20,24);3*1H4
• InChIKey: ADDUNZZETAXDAG-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 219.41 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1326.78
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 157077636) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is C.C.C.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCCc3ccccc32)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCOCC2)n1.O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3c(-c4ccccc4)n[nH]c3C2)n1.

What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

The InChIKey is ADDUNZZETAXDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS.C23H25N5OS.C18H23N5O2S.3CH4/c34-25(28-20-8-4-5-9-23(20)32-14-11-27-12-15-32)22-17-35-26(29-22)33-13-10-19-21(16-33)30-31-24(19)18-6-2-1-3-7-18;29-22(25-18-8-2-4-10-21(18)27-14-11-24-12-15-27)19-16-30-23(26-19)28-13-5-7-17-6-1-3-9-20(17)28;24-17(15-13-26-18(21-15)23-9-11-25-12-10-23)20-14-3-1-2-4-16(14)22-7-5-19-6-8-22;;;/h1-9,17,27H,10-16H2,(H,28,34)(H,30,31);1-4,6,8-10,16,24H,5,7,11-15H2,(H,25,29);1-4,13,19H,5-12H2,(H,20,24);3*1H4.

What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?

2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 1326.78 g/mol, XLogP of 11.20, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;methane;2-morpholin-4-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3-phenyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157077636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).