(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone

C18H23N3O2S — CID 95346732

IUPAC(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-2-17-19-12-16(24-17)18(23)21-10-8-20(9-11-21)13-15(22)14-6-4-3-5-7-14/h3-7,12,15,22H,2,8-11,13H2,1H3/t15-/m0/s1
InChIKeyNINNCDWWWFSLBQ-HNNXBMFYSA-N
MW345.47 g/mol
LogP2.20
Rot. Bonds5

About (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone

(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (PubChem CID 95346732) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
PubChem CID95346732
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
SMILESCCc1ncc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)s1
InChIInChI=1S/C18H23N3O2S/c1-2-17-19-12-16(24-17)18(23)21-10-8-20(9-11-21)13-15(22)14-6-4-3-5-7-14/h3-7,12,15,22H,2,8-11,13H2,1H3/t15-/m0/s1
InChIKeyNINNCDWWWFSLBQ-HNNXBMFYSA-N
XLogP2.20
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(2-ethyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 95143740
[4-(2-ethyl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 86847767
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-5-yl)methanone
CID 111462920
(2-ethyl-1,3-thiazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 48573234
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95601881
[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 95319016
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
ethyl 4-(2-hydroxy-2-phenylethyl)piperazine-1-carboxylate
CID 3269514
(3-aminopyrazin-2-yl)-[4-[(2S)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95315165
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95278919
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 111105254

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The IUPAC name of (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone (CID 95346732) is (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is CCc1ncc(C(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)s1.
What is the InChIKey of (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
The InChIKey is NINNCDWWWFSLBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-17-19-12-16(24-17)18(23)21-10-8-20(9-11-21)13-15(22)14-6-4-3-5-7-14/h3-7,12,15,22H,2,8-11,13H2,1H3/t15-/m0/s1.
What are the key properties of (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone?
(2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-5-yl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95346732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).