1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol

C17H23N3O2S — CID 56794621

IUPAC1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccc(C(O)C(C)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-13(16(21)14-3-5-15(22-2)6-4-14)19-8-10-20(11-9-19)17-18-7-12-23-17/h3-7,12-13,16,21H,8-11H2,1-2H3
InChIKeyYTKCXUYCQNINGC-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.40
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol

1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol (PubChem CID 56794621) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol
PubChem CID56794621
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol
SMILESCOc1ccc(C(O)C(C)N2CCN(c3nccs3)CC2)cc1
InChIInChI=1S/C17H23N3O2S/c1-13(16(21)14-3-5-15(22-2)6-4-14)19-8-10-20(11-9-19)17-18-7-12-23-17/h3-7,12-13,16,21H,8-11H2,1-2H3
InChIKeyYTKCXUYCQNINGC-UHFFFAOYSA-N
XLogP2.40
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111027825
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 18136601
[(1S,2S)-2-(4-methoxyphenyl)cyclopropyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95274950
4-methoxy-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzonitrile
CID 81297131
N'-[3-(4-methoxyphenoxy)propyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111079475
2-[4-[5-(4-propan-2-ylphenoxy)pentyl]piperazin-1-yl]-1,3-thiazole
CID 57388879
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-ol
CID 103857720
(2R)-N-tert-butyl-2-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]propanamide
CID 94796371
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
(1R,2S)-1-(4-ethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)propan-1-ol
CID 125480881
methyl 4-chloro-2-[4-[1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 133476650

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol (CID 56794621) is 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol is COc1ccc(C(O)C(C)N2CCN(c3nccs3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol?
The InChIKey is YTKCXUYCQNINGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-13(16(21)14-3-5-15(22-2)6-4-14)19-8-10-20(11-9-19)17-18-7-12-23-17/h3-7,12-13,16,21H,8-11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol?
1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol has a molecular weight of 333.46 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 56794621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).