[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C21H22N4O2S — CID 52906138

IUPAC[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nsc(C(=O)N3CCN(c4ccccc4)CC3)c2N)cc1
InChIInChI=1S/C21H22N4O2S/c1-27-17-9-7-15(8-10-17)19-18(22)20(28-23-19)21(26)25-13-11-24(12-14-25)16-5-3-2-4-6-16/h2-10H,11-14,22H2,1H3
InChIKeyARGMNWDFMDEHJX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.36
Rot. Bonds4

About [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 52906138) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID52906138
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccc(-c2nsc(C(=O)N3CCN(c4ccccc4)CC3)c2N)cc1
InChIInChI=1S/C21H22N4O2S/c1-27-17-9-7-15(8-10-17)19-18(22)20(28-23-19)21(26)25-13-11-24(12-14-25)16-5-3-2-4-6-16/h2-10H,11-14,22H2,1H3
InChIKeyARGMNWDFMDEHJX-UHFFFAOYSA-N
XLogP3.36
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53141395
[3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 53169246
(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 53141383
(3-amino-6-phenylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23971348
[4-(4-hydroxyphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanone
CID 112763166
(4-amino-3-pyridin-2-yl-1,2-thiazol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 53141256
[3-amino-4-(2,5-dimethoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 23943389
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 17011323
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
(3-amino-6-methylthieno[2,3-b]pyridin-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 23859628
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649513

Frequently Asked Questions

What is the IUPAC name of [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 52906138) is [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccc(-c2nsc(C(=O)N3CCN(c4ccccc4)CC3)c2N)cc1.
What is the InChIKey of [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ARGMNWDFMDEHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-27-17-9-7-15(8-10-17)19-18(22)20(28-23-19)21(26)25-13-11-24(12-14-25)16-5-3-2-4-6-16/h2-10H,11-14,22H2,1H3.
What are the key properties of [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 394.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 52906138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).