[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

C26H25N5O2S — CID 121059808

IUPAC[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)c4csc(-c5ccccc5)n4)CC3)nn2)cc1
InChIInChI=1S/C26H25N5O2S/c1-2-33-21-10-8-19(9-11-21)22-12-13-24(29-28-22)30-14-16-31(17-15-30)26(32)23-18-34-25(27-23)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3
InChIKeyCTPSSJJNGHAJPU-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.63
Rot. Bonds6

About [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone

[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 121059808) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID121059808
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC Name[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)c4csc(-c5ccccc5)n4)CC3)nn2)cc1
InChIInChI=1S/C26H25N5O2S/c1-2-33-21-10-8-19(9-11-21)22-12-13-24(29-28-22)30-14-16-31(17-15-30)26(32)23-18-34-25(27-23)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3
InChIKeyCTPSSJJNGHAJPU-UHFFFAOYSA-N
XLogP4.63
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
1-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55615545
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55618001
(4-aminopiperidin-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone;dihydrochloride
CID 119373031
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
1-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxylic acid
CID 119167150
[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55629311
N-(2-chlorophenyl)-2-[4-[2-(4-ethoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 39440649
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059845
6-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 121059753

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone (CID 121059808) is [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is CCOc1ccc(-c2ccc(N3CCN(C(=O)c4csc(-c5ccccc5)n4)CC3)nn2)cc1.
What is the InChIKey of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is CTPSSJJNGHAJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-2-33-21-10-8-19(9-11-21)22-12-13-24(29-28-22)30-14-16-31(17-15-30)26(32)23-18-34-25(27-23)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3.
What are the key properties of [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone?
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 471.59 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 121059808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).