4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine

C30H30N4O2S — CID 175547273

About 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine

4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 175547273) has the molecular formula C30H30N4O2S and a molecular weight of 510.66 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine
• PubChem CID: 175547273
• Molecular Formula: C30H30N4O2S
• Molecular Weight: 510.66 g/mol
• Exact Mass: 510.21
• IUPAC Name: 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine
• SMILES: COc1cccc(CCc2csc(N(Cc3ccc(-n4cccn4)cc3)Cc3cccc(OC)c3)n2)c1
• InChI: InChI=1S/C30H30N4O2S/c1-35-28-8-3-6-23(18-28)10-13-26-22-37-30(32-26)33(21-25-7-4-9-29(19-25)36-2)20-24-11-14-27(15-12-24)34-17-5-16-31-34/h3-9,11-12,14-19,22H,10,13,20-21H2,1-2H3
• InChIKey: LQMVRAZXTLUVML-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 52.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.66
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine?

The IUPAC name of 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine (CID 175547273) is 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine?

The canonical SMILES for 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine is COc1cccc(CCc2csc(N(Cc3ccc(-n4cccn4)cc3)Cc3cccc(OC)c3)n2)c1.

What is the InChIKey of 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine?

The InChIKey is LQMVRAZXTLUVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2S/c1-35-28-8-3-6-23(18-28)10-13-26-22-37-30(32-26)33(21-25-7-4-9-29(19-25)36-2)20-24-11-14-27(15-12-24)34-17-5-16-31-34/h3-9,11-12,14-19,22H,10,13,20-21H2,1-2H3.

What are the key properties of 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine?

4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 510.66 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(3-methoxyphenyl)ethyl]-N-[(3-methoxyphenyl)methyl]-N-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 175547273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).