1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol

C18H25N3O2S — CID 75369876

IUPAC1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCC1CN(CC(O)COCc2ccccc2)CCN1c1nccs1
InChIInChI=1S/C18H25N3O2S/c1-15-11-20(8-9-21(15)18-19-7-10-24-18)12-17(22)14-23-13-16-5-3-2-4-6-16/h2-7,10,15,17,22H,8-9,11-14H2,1H3
InChIKeyHVBWPSQIRQIBHZ-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.23
Rot. Bonds7

About 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol

1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol (PubChem CID 75369876) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
PubChem CID75369876
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
SMILESCC1CN(CC(O)COCc2ccccc2)CCN1c1nccs1
InChIInChI=1S/C18H25N3O2S/c1-15-11-20(8-9-21(15)18-19-7-10-24-18)12-17(22)14-23-13-16-5-3-2-4-6-16/h2-7,10,15,17,22H,8-9,11-14H2,1H3
InChIKeyHVBWPSQIRQIBHZ-UHFFFAOYSA-N
XLogP2.23
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol (CID 75369876) is 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol is CC1CN(CC(O)COCc2ccccc2)CCN1c1nccs1.
What is the InChIKey of 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
The InChIKey is HVBWPSQIRQIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-15-11-20(8-9-21(15)18-19-7-10-24-18)12-17(22)14-23-13-16-5-3-2-4-6-16/h2-7,10,15,17,22H,8-9,11-14H2,1H3.
What are the key properties of 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol?
1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol has a molecular weight of 347.48 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 75369876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).