[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

C18H23N3O2S — CID 99820617

IUPAC[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCOc1cccc([C@H](C)N2CCN(C(=O)c3csnc3C)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-17(12-24-19-13)18(22)21-9-7-20(8-10-21)14(2)15-5-4-6-16(11-15)23-3/h4-6,11-12,14H,7-10H2,1-3H3/t14-/m0/s1
InChIKeyIWWMXIBPOZSKSC-AWEZNQCLSA-N
MW345.47 g/mol
LogP2.98
Rot. Bonds4

About [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone

[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (PubChem CID 99820617) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
PubChem CID99820617
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
SMILESCOc1cccc([C@H](C)N2CCN(C(=O)c3csnc3C)CC2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-17(12-24-19-13)18(22)21-9-7-20(8-10-21)14(2)15-5-4-6-16(11-15)23-3/h4-6,11-12,14H,7-10H2,1-3H3/t14-/m0/s1
InChIKeyIWWMXIBPOZSKSC-AWEZNQCLSA-N
XLogP2.98
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone with MolForge

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Related Compounds

(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
(6-fluoro-3-pyridinyl)-[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 96568758
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704346
3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119877616
N-[5-[4-[1-(3-methoxyphenyl)ethyl]piperazine-1-carbonyl]thiophen-2-yl]furan-2-carboxamide
CID 86889383
(2S)-2-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95312026
3-(2-aminophenyl)-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 120612989
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The IUPAC name of [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone (CID 99820617) is [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The canonical SMILES for [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is COc1cccc([C@H](C)N2CCN(C(=O)c3csnc3C)CC2)c1.
What is the InChIKey of [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
The InChIKey is IWWMXIBPOZSKSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-17(12-24-19-13)18(22)21-9-7-20(8-10-21)14(2)15-5-4-6-16(11-15)23-3/h4-6,11-12,14H,7-10H2,1-3H3/t14-/m0/s1.
What are the key properties of [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone?
[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone has a molecular weight of 345.47 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 99820617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).