1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone

C21H23N5OS — CID 5329326

IUPAC1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1
InChIInChI=1S/C21H23N5OS/c1-16(27)26-11-9-25(10-12-26)15-17-7-8-22-20(13-17)24-21-23-14-19(28-21)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3,(H,22,23,24)
InChIKeyFQJJCPJSVFSADI-UHFFFAOYSA-N
MW393.52 g/mol
LogP3.61
Rot. Bonds5

About 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone (PubChem CID 5329326) has the molecular formula C21H23N5OS and a molecular weight of 393.52 g/mol. Its IUPAC name is 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
PubChem CID5329326
Molecular FormulaC21H23N5OS
Molecular Weight393.52 g/mol
Exact Mass393.16
IUPAC Name1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1
InChIInChI=1S/C21H23N5OS/c1-16(27)26-11-9-25(10-12-26)15-17-7-8-22-20(13-17)24-21-23-14-19(28-21)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3,(H,22,23,24)
InChIKeyFQJJCPJSVFSADI-UHFFFAOYSA-N
XLogP3.61
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.52
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone (CID 5329326) is 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1.
What is the InChIKey of 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is FQJJCPJSVFSADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5OS/c1-16(27)26-11-9-25(10-12-26)15-17-7-8-22-20(13-17)24-21-23-14-19(28-21)18-5-3-2-4-6-18/h2-8,13-14H,9-12,15H2,1H3,(H,22,23,24).
What are the key properties of 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 393.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-[(5-phenyl-1,3-thiazol-2-yl)amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 5329326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).