[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C22H23N3O2S — CID 146087674

IUPAC[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2S/c26-20(17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)22(27)19-16-28-21(23-19)18-9-5-2-6-10-18/h1-10,16,20,26H,11-15H2
InChIKeyCDKLJTZXRVAODK-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.30
Rot. Bonds5

About [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 146087674) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID146087674
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2ccccc2)n1)N1CCN(CC(O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2S/c26-20(17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)22(27)19-16-28-21(23-19)18-9-5-2-6-10-18/h1-10,16,20,26H,11-15H2
InChIKeyCDKLJTZXRVAODK-UHFFFAOYSA-N
XLogP3.30
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255758
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 55683750
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
(2-phenyl-1,3-thiazol-4-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 18115382
tert-butyl 4-(2-phenyl-1,3-thiazole-4-carbonyl)piperazine-1-carboxylate
CID 46684680
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
[1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286859
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 17480273
[4-(aminomethyl)phenyl]-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methanone
CID 119880014
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-2-phenylethanone
CID 94085003

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 146087674) is [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2ccccc2)n1)N1CCN(CC(O)c2ccccc2)CC1.
What is the InChIKey of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is CDKLJTZXRVAODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c26-20(17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)22(27)19-16-28-21(23-19)18-9-5-2-6-10-18/h1-10,16,20,26H,11-15H2.
What are the key properties of [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 393.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 146087674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).