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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-methylpiperidin-1-yl)-3-[(3R)-3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 97199173
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-(2-ethylthiomorpholin-4-yl)-3-phenylmethoxypropan-2-ol
CID 115666599
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
2-[(2S)-2-methyl-4-[2-[(R)-phenylsulfinyl]ethyl]piperazin-1-yl]-1,3-thiazole
CID 97094600
(2S)-1-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol
CID 94028188
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 25490234
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-phenylmethoxypropan-2-ol dichloride
CID 21236661
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-phenylmethoxypropan-2-ol
CID 112734049

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).