[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol

C20H22N4OS — CID 110245059

IUPAC[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1ccccc1N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H22N4OS/c25-19(20-22-9-14-26-20)17-3-1-2-4-18(17)24-12-10-23(11-13-24)15-16-5-7-21-8-6-16/h1-9,14,19,25H,10-13,15H2
InChIKeyNOULAQSSGCUFRQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP2.94
Rot. Bonds5

About [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol

[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol (PubChem CID 110245059) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
PubChem CID110245059
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
SMILESOC(c1nccs1)c1ccccc1N1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H22N4OS/c25-19(20-22-9-14-26-20)17-3-1-2-4-18(17)24-12-10-23(11-13-24)15-16-5-7-21-8-6-16/h1-9,14,19,25H,10-13,15H2
InChIKeyNOULAQSSGCUFRQ-UHFFFAOYSA-N
XLogP2.94
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol 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

[2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 110220734
(S)-[2-[4-[(3-methylthiophen-2-yl)methyl]piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol
CID 92562841
(S)-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 92593823
[2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-(1,3-thiazol-2-yl)methanol
CID 110220769
(S)-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 92567353
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220840
4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-[(1S)-1-(1,3-thiazol-2-yl)ethyl]isoindole-1,3-dione
CID 42471256
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]phenyl]-(1-methylimidazol-2-yl)methanol
CID 110220715
[2-[4-[(3-prop-2-ynoxyphenyl)methyl]piperazin-1-yl]phenyl]-pyridin-2-ylmethanol
CID 110220853
3-[[4-[2-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 110220707
(E)-N-hydroxy-3-[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 122514187

Frequently Asked Questions

What is the IUPAC name of [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol (CID 110245059) is [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol is OC(c1nccs1)c1ccccc1N1CCN(Cc2ccncc2)CC1.
What is the InChIKey of [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is NOULAQSSGCUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c25-19(20-22-9-14-26-20)17-3-1-2-4-18(17)24-12-10-23(11-13-24)15-16-5-7-21-8-6-16/h1-9,14,19,25H,10-13,15H2.
What are the key properties of [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol?
[2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 366.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 110245059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).