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

C39H44N8O4S2 — CID 167606320

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

N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate (PubChem CID 167606320) has the molecular formula C39H44N8O4S2 and a molecular weight of 752.97 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate.

Molecular Properties

• Compound Name: N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate
• PubChem CID: 167606320
• Molecular Formula: C39H44N8O4S2
• Molecular Weight: 752.97 g/mol
• Exact Mass: 752.29
• IUPAC Name: N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate
• SMILES: Cc1cc(OCCN)cc(Nc2ncc(-c3ccccc3)s2)n1.Cc1cc(OCCNC(=O)OC(C)(C)C)cc(Nc2ncc(-c3ccccc3)s2)n1
• InChI: InChI=1S/C22H26N4O3S.C17H18N4OS/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;1-12-9-14(22-8-7-18)10-16(20-12)21-17-19-11-15(23-17)13-5-3-2-4-6-13/h5-9,12-14H,10-11H2,1-4H3,(H,23,27)(H,24,25,26);2-6,9-11H,7-8,18H2,1H3,(H,19,20,21)
• InChIKey: KKVDZRJAGPEDHH-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 158.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	752.97
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate (CID 167606320) is N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate.

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

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

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

The InChIKey is KKVDZRJAGPEDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S.C17H18N4OS/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;1-12-9-14(22-8-7-18)10-16(20-12)21-17-19-11-15(23-17)13-5-3-2-4-6-13/h5-9,12-14H,10-11H2,1-4H3,(H,23,27)(H,24,25,26);2-6,9-11H,7-8,18H2,1H3,(H,19,20,21).

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

N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate has a molecular weight of 752.97 g/mol, XLogP of 8.76, 13 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-aminoethoxy)-6-methyl-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine;tert-butyl N-[2-[[2-methyl-6-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]oxy]ethyl]carbamate is sourced from PubChem (CID 167606320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).