1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol

C28H31NO3S — CID 165402210

About 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol

1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 165402210) has the molecular formula C28H31NO3S and a molecular weight of 461.63 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

• Compound Name: 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
• PubChem CID: 165402210
• Molecular Formula: C28H31NO3S
• Molecular Weight: 461.63 g/mol
• Exact Mass: 461.20
• IUPAC Name: 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol
• SMILES: Cc1cc(C(O)CCc2sc(-c3ccc4ccccc4c3)nc2C(C)C)ccc1OCCO
• InChI: InChI=1S/C28H31NO3S/c1-18(2)27-26(13-11-24(31)22-10-12-25(19(3)16-22)32-15-14-30)33-28(29-27)23-9-8-20-6-4-5-7-21(20)17-23/h4-10,12,16-18,24,30-31H,11,13-15H2,1-3H3
• InChIKey: WPXYORNCNXTUEY-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.63
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?

The IUPAC name of 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol (CID 165402210) is 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol.

What is the SMILES notation for 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?

The canonical SMILES for 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol is Cc1cc(C(O)CCc2sc(-c3ccc4ccccc4c3)nc2C(C)C)ccc1OCCO.

What is the InChIKey of 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?

The InChIKey is WPXYORNCNXTUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3S/c1-18(2)27-26(13-11-24(31)22-10-12-25(19(3)16-22)32-15-14-30)33-28(29-27)23-9-8-20-6-4-5-7-21(20)17-23/h4-10,12,16-18,24,30-31H,11,13-15H2,1-3H3.

What are the key properties of 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol?

1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 461.63 g/mol, XLogP of 6.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-hydroxyethoxy)-3-methylphenyl]-3-(2-naphthalen-2-yl-4-propan-2-yl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 165402210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).