2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol

C19H27N3O3S — CID 98587999

About 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 98587999) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
• PubChem CID: 98587999
• Molecular Formula: C19H27N3O3S
• Molecular Weight: 377.51 g/mol
• Exact Mass: 377.18
• IUPAC Name: 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
• SMILES: COc1cc(CN2CCN(Cc3nccs3)C[C@H]2CCO)cc(OC)c1
• InChI: InChI=1S/C19H27N3O3S/c1-24-17-9-15(10-18(11-17)25-2)12-22-6-5-21(13-16(22)3-7-23)14-19-20-4-8-26-19/h4,8-11,16,23H,3,5-7,12-14H2,1-2H3/t16-/m1/s1
• InChIKey: BZHQXAJZKGUJEL-MRXNPFEDSA-N
• XLogP: 2.23
• TPSA: 58.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.51
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?

The IUPAC name of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol (CID 98587999) is 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol.

What is the SMILES notation for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?

The canonical SMILES for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol is COc1cc(CN2CCN(Cc3nccs3)C[C@H]2CCO)cc(OC)c1.

What is the InChIKey of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?

The InChIKey is BZHQXAJZKGUJEL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-24-17-9-15(10-18(11-17)25-2)12-22-6-5-21(13-16(22)3-7-23)14-19-20-4-8-26-19/h4,8-11,16,23H,3,5-7,12-14H2,1-2H3/t16-/m1/s1.

What are the key properties of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol?

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 377.51 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98587999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).