[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

C22H24N4OS — CID 110389428

IUPAC[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(CCc2ccncc2)sc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4OS/c1-17-21(28-20(24-17)8-7-18-9-11-23-12-10-18)22(27)26-15-13-25(14-16-26)19-5-3-2-4-6-19/h2-6,9-12H,7-8,13-16H2,1H3
InChIKeyHOFPYQOHZZFGSC-UHFFFAOYSA-N
MW392.53 g/mol
LogP3.59
Rot. Bonds5

About [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone

[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110389428) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID110389428
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc(CCc2ccncc2)sc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H24N4OS/c1-17-21(28-20(24-17)8-7-18-9-11-23-12-10-18)22(27)26-15-13-25(14-16-26)19-5-3-2-4-6-19/h2-6,9-12H,7-8,13-16H2,1H3
InChIKeyHOFPYQOHZZFGSC-UHFFFAOYSA-N
XLogP3.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone with MolForge

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Related Compounds

azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389446
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-(4-phenylpiperazin-1-yl)methanone
CID 39080600
[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 31700706
[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 110389286
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448
(2-butyl-4-methyl-1,3-thiazol-5-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 55684389
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 39080857
4-methyl-N-propan-2-yl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389378
(4-benzhydrylpiperazin-1-yl)-(2-benzyl-4-methyl-1,3-thiazol-5-yl)methanone
CID 39080626
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110387114
[4-(4-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone
CID 60599375

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone (CID 110389428) is [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is Cc1nc(CCc2ccncc2)sc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HOFPYQOHZZFGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-17-21(28-20(24-17)8-7-18-9-11-23-12-10-18)22(27)26-15-13-25(14-16-26)19-5-3-2-4-6-19/h2-6,9-12H,7-8,13-16H2,1H3.
What are the key properties of [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone?
[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 392.53 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110389428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).