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

C17H23N3O2S — CID 95317688

IUPAC(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1csc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1
InChIInChI=1S/C17H23N3O2S/c1-14-13-23-17(18-14)20-9-7-19(8-10-20)11-15(21)12-22-16-5-3-2-4-6-16/h2-6,13,15,21H,7-12H2,1H3/t15-/m0/s1
InChIKeyZHFNBUBEUZPMJV-HNNXBMFYSA-N
MW333.46 g/mol
LogP2.01
Rot. Bonds6

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

(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 95317688) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
PubChem CID95317688
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1csc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1
InChIInChI=1S/C17H23N3O2S/c1-14-13-23-17(18-14)20-9-7-19(8-10-20)11-15(21)12-22-16-5-3-2-4-6-16/h2-6,13,15,21H,7-12H2,1H3/t15-/m0/s1
InChIKeyZHFNBUBEUZPMJV-HNNXBMFYSA-N
XLogP2.01
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 94028188
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2S)-1-phenoxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 1485766
1-(4-phenylphenoxy)-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 51312086
(2R)-1-[4-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol
CID 1050588
(1S)-1-(3-methoxyphenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanol
CID 98764226
(2S)-1-(4-tert-butylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1177221
1-(4-phenoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 42909864
1-(4-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 4041027
(2R)-1-(3,5-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 764656
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol (CID 95317688) is (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol is Cc1csc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1.
What is the InChIKey of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is ZHFNBUBEUZPMJV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-14-13-23-17(18-14)20-9-7-19(8-10-20)11-15(21)12-22-16-5-3-2-4-6-16/h2-6,13,15,21H,7-12H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol?
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 333.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 95317688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).