2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole

C43H45N3O6S2 — CID 158731276

About 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole

2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole (PubChem CID 158731276) has the molecular formula C43H45N3O6S2 and a molecular weight of 763.98 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole
• PubChem CID: 158731276
• Molecular Formula: C43H45N3O6S2
• Molecular Weight: 763.98 g/mol
• Exact Mass: 763.27
• IUPAC Name: 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole
• SMILES: CCCc1nc(-c2ccccc2)sc1C.COc1ccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCCc3nc(-c4ccccc4)sc3C)cc2)cc1
• InChI: InChI=1S/C30H30N2O6S.C13H15NS/c1-20(32(19-28(33)34)30(35)38-26-15-13-24(36-3)14-16-26)22-9-11-25(12-10-22)37-18-17-27-21(2)39-29(31-27)23-7-5-4-6-8-23;1-3-7-12-10(2)15-13(14-12)11-8-5-4-6-9-11/h4-16,20H,17-19H2,1-3H3,(H,33,34);4-6,8-9H,3,7H2,1-2H3/t20-;/m1./s1
• InChIKey: ILCZOHBNJVKTGE-VEIFNGETSA-N
• XLogP: 10.47
• TPSA: 111.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.98
LogP ≤ 5	10.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole?

The IUPAC name of 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole (CID 158731276) is 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole.

What is the SMILES notation for 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole?

The canonical SMILES for 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole is CCCc1nc(-c2ccccc2)sc1C.COc1ccc(OC(=O)N(CC(=O)O)[C@H](C)c2ccc(OCCc3nc(-c4ccccc4)sc3C)cc2)cc1.

What is the InChIKey of 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole?

The InChIKey is ILCZOHBNJVKTGE-VEIFNGETSA-N. The full InChI is InChI=1S/C30H30N2O6S.C13H15NS/c1-20(32(19-28(33)34)30(35)38-26-15-13-24(36-3)14-16-26)22-9-11-25(12-10-22)37-18-17-27-21(2)39-29(31-27)23-7-5-4-6-8-23;1-3-7-12-10(2)15-13(14-12)11-8-5-4-6-9-11/h4-16,20H,17-19H2,1-3H3,(H,33,34);4-6,8-9H,3,7H2,1-2H3/t20-;/m1./s1.

What are the key properties of 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole?

2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole has a molecular weight of 763.98 g/mol, XLogP of 10.47, 14 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenoxy)carbonyl-[(1R)-1-[4-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]phenyl]ethyl]amino]acetic acid;5-methyl-2-phenyl-4-propyl-1,3-thiazole is sourced from PubChem (CID 158731276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).