tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine

C44H53ClN8O6S2 — CID 167579831

About tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine

tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine (PubChem CID 167579831) has the molecular formula C44H53ClN8O6S2 and a molecular weight of 889.55 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine
• PubChem CID: 167579831
• Molecular Formula: C44H53ClN8O6S2
• Molecular Weight: 889.55 g/mol
• Exact Mass: 888.32
• IUPAC Name: tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine
• SMILES: Cc1cc(OCCNC(=O)OC(C)(C)C)cc(Cl)n1.Cc1cc(OCCNC(=O)OC(C)(C)C)cc(Nc2ncc(-c3ccccc3)s2)n1.Nc1ncc(-c2ccccc2)s1
• InChI: InChI=1S/C22H26N4O3S.C13H19ClN2O3.C9H8N2S/c1-15-12-17(28-11-10-23-21(27)29-22(2,3)4)13-19(25-15)26-20-24-14-18(30-20)16-8-6-5-7-9-16;1-9-7-10(8-11(14)16-9)18-6-5-15-12(17)19-13(2,3)4;10-9-11-6-8(12-9)7-4-2-1-3-5-7/h5-9,12-14H,10-11H2,1-4H3,(H,23,27)(H,24,25,26);7-8H,5-6H2,1-4H3,(H,15,17);1-6H,(H2,10,11)
• InChIKey: HAMNLZNCXRJUMW-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 184.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.55
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine?

The IUPAC name of tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine (CID 167579831) is tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine.

What is the SMILES notation for tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine?

The canonical SMILES for tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine is Cc1cc(OCCNC(=O)OC(C)(C)C)cc(Cl)n1.Cc1cc(OCCNC(=O)OC(C)(C)C)cc(Nc2ncc(-c3ccccc3)s2)n1.Nc1ncc(-c2ccccc2)s1.

What is the InChIKey of tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine?

The InChIKey is HAMNLZNCXRJUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S.C13H19ClN2O3.C9H8N2S/c1-15-12-17(28-11-10-23-21(27)29-22(2,3)4)13-19(25-15)26-20-24-14-18(30-20)16-8-6-5-7-9-16;1-9-7-10(8-11(14)16-9)18-6-5-15-12(17)19-13(2,3)4;10-9-11-6-8(12-9)7-4-2-1-3-5-7/h5-9,12-14H,10-11H2,1-4H3,(H,23,27)(H,24,25,26);7-8H,5-6H2,1-4H3,(H,15,17);1-6H,(H2,10,11).

What are the key properties of tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine?

tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine has a molecular weight of 889.55 g/mol, XLogP of 10.50, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[(2-chloro-6-methyl-4-pyridinyl)oxy]ethyl]carbamate;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate;5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 167579831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).