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

C20H21N5O2S — CID 53141395

IUPAC(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3snc(-c4ccncc4)c3N)CC2)c1
InChIInChI=1S/C20H21N5O2S/c1-27-16-4-2-3-15(13-16)24-9-11-25(12-10-24)20(26)19-17(21)18(23-28-19)14-5-7-22-8-6-14/h2-8,13H,9-12,21H2,1H3
InChIKeyOUBOYWTVAZVULK-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.76
Rot. Bonds4

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

(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 53141395) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID53141395
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3snc(-c4ccncc4)c3N)CC2)c1
InChIInChI=1S/C20H21N5O2S/c1-27-16-4-2-3-15(13-16)24-9-11-25(12-10-24)20(26)19-17(21)18(23-28-19)14-5-7-22-8-6-14/h2-8,13H,9-12,21H2,1H3
InChIKeyOUBOYWTVAZVULK-UHFFFAOYSA-N
XLogP2.76
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-amino-3-(4-methoxyphenyl)-1,2-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 52906138
(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 53141383
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119829444
(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 17173770
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
(5-amino-2-methylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 120639741
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
CID 11604587
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 53141395) is (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3snc(-c4ccncc4)c3N)CC2)c1.
What is the InChIKey of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OUBOYWTVAZVULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-27-16-4-2-3-15(13-16)24-9-11-25(12-10-24)20(26)19-17(21)18(23-28-19)14-5-7-22-8-6-14/h2-8,13H,9-12,21H2,1H3.
What are the key properties of (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 395.49 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-pyridin-4-yl-1,2-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53141395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).