[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

C18H21N3O2S — CID 46067858

IUPAC[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C18H21N3O2S/c1-3-8-20-9-11-21(12-10-20)18(22)16-13-24-17(19-16)14-4-6-15(23-2)7-5-14/h3-7,13H,1,8-12H2,2H3
InChIKeyXIZHALKRCGPVFP-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.76
Rot. Bonds5

About [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 46067858) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID46067858
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1
InChIInChI=1S/C18H21N3O2S/c1-3-8-20-9-11-21(12-10-20)18(22)16-13-24-17(19-16)14-4-6-15(23-2)7-5-14/h3-7,13H,1,8-12H2,2H3
InChIKeyXIZHALKRCGPVFP-UHFFFAOYSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55405887
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 26643733
[2-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
CID 42866894
N-butyl-2-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 18163301
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46067944
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992454
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 119644862
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 24614336
1-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42865910
[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55618001
(4-methoxyphenyl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750047

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (CID 46067858) is [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is XIZHALKRCGPVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-3-8-20-9-11-21(12-10-20)18(22)16-13-24-17(19-16)14-4-6-15(23-2)7-5-14/h3-7,13H,1,8-12H2,2H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 343.45 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 46067858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).