(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate

C30H32N2O4S — CID 22087790

About (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate

(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate (PubChem CID 22087790) has the molecular formula C30H32N2O4S and a molecular weight of 516.66 g/mol. Its IUPAC name is (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate.

Molecular Properties

• Compound Name: (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate
• PubChem CID: 22087790
• Molecular Formula: C30H32N2O4S
• Molecular Weight: 516.66 g/mol
• Exact Mass: 516.21
• IUPAC Name: (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate
• SMILES: CCN(C(=O)Oc1ccc(OC)cc1)C(C)c1ccc(OCCc2nc(-c3ccccc3)sc2C)cc1
• InChI: InChI=1S/C30H32N2O4S/c1-5-32(30(33)36-27-17-15-25(34-4)16-18-27)21(2)23-11-13-26(14-12-23)35-20-19-28-22(3)37-29(31-28)24-9-7-6-8-10-24/h6-18,21H,5,19-20H2,1-4H3
• InChIKey: QAGUALUCGBJRNP-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 60.89 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.66
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate?

The IUPAC name of (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate (CID 22087790) is (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate.

What is the SMILES notation for (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate?

The canonical SMILES for (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate is CCN(C(=O)Oc1ccc(OC)cc1)C(C)c1ccc(OCCc2nc(-c3ccccc3)sc2C)cc1.

What is the InChIKey of (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate?

The InChIKey is QAGUALUCGBJRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4S/c1-5-32(30(33)36-27-17-15-25(34-4)16-18-27)21(2)23-11-13-26(14-12-23)35-20-19-28-22(3)37-29(31-28)24-9-7-6-8-10-24/h6-18,21H,5,19-20H2,1-4H3.

What are the key properties of (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate?

(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate has a molecular weight of 516.66 g/mol, XLogP of 7.33, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 22087790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).