1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol

C19H27N3O3S — CID 3078081

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol
SMILESCCOc1ccccc1N1CCN(CC(O)COc2scnc2C)CC1
InChIInChI=1S/C19H27N3O3S/c1-3-24-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-16(23)13-25-19-15(2)20-14-26-19/h4-7,14,16,23H,3,8-13H2,1-2H3
InChIKeyBSQQHCGGFKCAET-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.41
Rot. Bonds8

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol (PubChem CID 3078081) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol
PubChem CID3078081
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol
SMILESCCOc1ccccc1N1CCN(CC(O)COc2scnc2C)CC1
InChIInChI=1S/C19H27N3O3S/c1-3-24-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-16(23)13-25-19-15(2)20-14-26-19/h4-7,14,16,23H,3,8-13H2,1-2H3
InChIKeyBSQQHCGGFKCAET-UHFFFAOYSA-N
XLogP2.41
TPSA58.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol (CID 3078081) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol is CCOc1ccccc1N1CCN(CC(O)COc2scnc2C)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol?
The InChIKey is BSQQHCGGFKCAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-3-24-18-7-5-4-6-17(18)22-10-8-21(9-11-22)12-16(23)13-25-19-15(2)20-14-26-19/h4-7,14,16,23H,3,8-13H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol has a molecular weight of 377.51 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)oxy]propan-2-ol is sourced from PubChem (CID 3078081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).