2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone

C77H81Cl4N17O11S3 — CID 158605988

About 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone

2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone (PubChem CID 158605988) has the molecular formula C77H81Cl4N17O11S3 and a molecular weight of 1658.62 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone
• PubChem CID: 158605988
• Molecular Formula: C77H81Cl4N17O11S3
• Molecular Weight: 1658.62 g/mol
• Exact Mass: 1655.42
• IUPAC Name: 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone
• SMILES: CN(C)CCCOc1ncc(-c2ccc(Cl)c(CC(=O)c3coc(N)n3)c2)s1.CN(C)CCCc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)s1.Nc1nc(C(=O)Cc2cc(-c3ccc(OC4CCNCC4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Cc2cc(-c3cnc(OC4CCNCC4)s3)ccc2Cl)co1
• InChI: InChI=1S/C21H21ClN4O3.C19H19ClN4O3S.C19H21ClN4O3S.C18H20ClN5O2S/c22-17-3-1-13(9-15(17)10-19(27)18-12-28-21(23)26-18)14-2-4-20(25-11-14)29-16-5-7-24-8-6-16;20-14-2-1-11(7-12(14)8-16(25)15-10-26-18(21)24-15)17-9-23-19(28-17)27-13-3-5-22-6-4-13;1-24(2)6-3-7-26-19-22-10-17(28-19)12-4-5-14(20)13(8-12)9-16(25)15-11-27-18(21)23-15;1-24(2)7-3-4-16-21-9-15(27-16)11-5-6-12(19)13(8-11)22-17(25)14-10-26-18(20)23-14/h1-4,9,11-12,16,24H,5-8,10H2,(H2,23,26);1-2,7,9-10,13,22H,3-6,8H2,(H2,21,24);4-5,8,10-11H,3,6-7,9H2,1-2H3,(H2,21,23);5-6,8-10H,3-4,7H2,1-2H3,(H2,20,23)(H,22,25)
• InChIKey: HWFPDKXLOXEBLL-UHFFFAOYSA-N
• XLogP: 14.69
• TPSA: 398.30 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1658.62
LogP ≤ 5	14.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone?

The IUPAC name of 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone (CID 158605988) is 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone.

What is the SMILES notation for 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone?

The canonical SMILES for 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone is CN(C)CCCOc1ncc(-c2ccc(Cl)c(CC(=O)c3coc(N)n3)c2)s1.CN(C)CCCc1ncc(-c2ccc(Cl)c(NC(=O)c3coc(N)n3)c2)s1.Nc1nc(C(=O)Cc2cc(-c3ccc(OC4CCNCC4)nc3)ccc2Cl)co1.Nc1nc(C(=O)Cc2cc(-c3cnc(OC4CCNCC4)s3)ccc2Cl)co1.

What is the InChIKey of 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone?

The InChIKey is HWFPDKXLOXEBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3.C19H19ClN4O3S.C19H21ClN4O3S.C18H20ClN5O2S/c22-17-3-1-13(9-15(17)10-19(27)18-12-28-21(23)26-18)14-2-4-20(25-11-14)29-16-5-7-24-8-6-16;20-14-2-1-11(7-12(14)8-16(25)15-10-26-18(21)24-15)17-9-23-19(28-17)27-13-3-5-22-6-4-13;1-24(2)6-3-7-26-19-22-10-17(28-19)12-4-5-14(20)13(8-12)9-16(25)15-11-27-18(21)23-15;1-24(2)7-3-4-16-21-9-15(27-16)11-5-6-12(19)13(8-11)22-17(25)14-10-26-18(20)23-14/h1-4,9,11-12,16,24H,5-8,10H2,(H2,23,26);1-2,7,9-10,13,22H,3-6,8H2,(H2,21,24);4-5,8,10-11H,3,6-7,9H2,1-2H3,(H2,21,23);5-6,8-10H,3-4,7H2,1-2H3,(H2,20,23)(H,22,25).

What are the key properties of 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone?

2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone has a molecular weight of 1658.62 g/mol, XLogP of 14.69, 28 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-chloro-5-[2-[3-(dimethylamino)propyl]-1,3-thiazol-5-yl]phenyl]-1,3-oxazole-4-carboxamide;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-[2-[3-(dimethylamino)propoxy]-1,3-thiazol-5-yl]phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(6-piperidin-4-yloxy-3-pyridinyl)phenyl]ethanone;1-(2-amino-1,3-oxazol-4-yl)-2-[2-chloro-5-(2-piperidin-4-yloxy-1,3-thiazol-5-yl)phenyl]ethanone is sourced from PubChem (CID 158605988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).