N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

C34H30N4O2S2 — CID 127037256

About N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine

N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (PubChem CID 127037256) has the molecular formula C34H30N4O2S2 and a molecular weight of 590.77 g/mol. Its IUPAC name is N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
• PubChem CID: 127037256
• Molecular Formula: C34H30N4O2S2
• Molecular Weight: 590.77 g/mol
• Exact Mass: 590.18
• IUPAC Name: N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
• SMILES: COc1cc(-c2ccc(Nc3nc(-c4ccc(C)cc4)cs3)c(OC)c2)ccc1Nc1nc(-c2ccc(C)cc2)cs1
• InChI: InChI=1S/C34H30N4O2S2/c1-21-5-9-23(10-6-21)29-19-41-33(37-29)35-27-15-13-25(17-31(27)39-3)26-14-16-28(32(18-26)40-4)36-34-38-30(20-42-34)24-11-7-22(2)8-12-24/h5-20H,1-4H3,(H,35,37)(H,36,38)
• InChIKey: XUCLPEQIOOBDGI-UHFFFAOYSA-N
• XLogP: 9.72
• TPSA: 68.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.77
LogP ≤ 5	9.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?

The IUPAC name of N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine (CID 127037256) is N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?

The canonical SMILES for N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is COc1cc(-c2ccc(Nc3nc(-c4ccc(C)cc4)cs3)c(OC)c2)ccc1Nc1nc(-c2ccc(C)cc2)cs1.

What is the InChIKey of N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?

The InChIKey is XUCLPEQIOOBDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N4O2S2/c1-21-5-9-23(10-6-21)29-19-41-33(37-29)35-27-15-13-25(17-31(27)39-3)26-14-16-28(32(18-26)40-4)36-34-38-30(20-42-34)24-11-7-22(2)8-12-24/h5-20H,1-4H3,(H,35,37)(H,36,38).

What are the key properties of N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine?

N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine has a molecular weight of 590.77 g/mol, XLogP of 9.72, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 127037256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).