[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

C22H24N4O2S — CID 39984682

IUPAC[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(C)nc4)CC3)cs2)cc1
InChIInChI=1S/C22H24N4O2S/c1-16-3-4-18(13-23-16)22(27)26-11-9-25(10-12-26)14-19-15-29-21(24-19)17-5-7-20(28-2)8-6-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyBRTPBCIYJQDJMV-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.48
Rot. Bonds5

About [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 39984682) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID39984682
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(C)nc4)CC3)cs2)cc1
InChIInChI=1S/C22H24N4O2S/c1-16-3-4-18(13-23-16)22(27)26-11-9-25(10-12-26)14-19-15-29-21(24-19)17-5-7-20(28-2)8-6-17/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyBRTPBCIYJQDJMV-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 39984682) is [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(C)nc4)CC3)cs2)cc1.
What is the InChIKey of [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is BRTPBCIYJQDJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-3-4-18(13-23-16)22(27)26-11-9-25(10-12-26)14-19-15-29-21(24-19)17-5-7-20(28-2)8-6-17/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 408.53 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 39984682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).