1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone

C20H22N6OS — CID 15978894

IUPAC1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(Nc3ncc(-c4ccc(C)nc4)s3)c2)CC1
InChIInChI=1S/C20H22N6OS/c1-14-3-4-16(12-22-14)18-13-23-20(28-18)24-19-11-17(5-6-21-19)26-9-7-25(8-10-26)15(2)27/h3-6,11-13H,7-10H2,1-2H3,(H,21,23,24)
InChIKeyPRKPSHPNLXHMEE-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.32
Rot. Bonds4

About 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone

1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 15978894) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID15978894
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(Nc3ncc(-c4ccc(C)nc4)s3)c2)CC1
InChIInChI=1S/C20H22N6OS/c1-14-3-4-16(12-22-14)18-13-23-20(28-18)24-19-11-17(5-6-21-19)26-9-7-25(8-10-26)15(2)27/h3-6,11-13H,7-10H2,1-2H3,(H,21,23,24)
InChIKeyPRKPSHPNLXHMEE-UHFFFAOYSA-N
XLogP3.32
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone (CID 15978894) is 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(Nc3ncc(-c4ccc(C)nc4)s3)c2)CC1.
What is the InChIKey of 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is PRKPSHPNLXHMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-14-3-4-16(12-22-14)18-13-23-20(28-18)24-19-11-17(5-6-21-19)26-9-7-25(8-10-26)15(2)27/h3-6,11-13H,7-10H2,1-2H3,(H,21,23,24).
What are the key properties of 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 394.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[5-(6-methyl-3-pyridinyl)-1,3-thiazol-2-yl]amino]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 15978894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).