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

C22H26N8O2S — CID 15978889

IUPAC1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1)N1CCOCC1
InChIInChI=1S/C22H26N8O2S/c31-21(30-7-9-32-10-8-30)15-28-3-5-29(6-4-28)18-1-2-25-20(11-18)27-22-26-14-19(33-22)17-12-23-16-24-13-17/h1-2,11-14,16H,3-10,15H2,(H,25,26,27)
InChIKeyPTSGWEQKQRKXIB-UHFFFAOYSA-N
MW466.57 g/mol
LogP1.72
Rot. Bonds6

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

1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 15978889) has the molecular formula C22H26N8O2S and a molecular weight of 466.57 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
PubChem CID15978889
Molecular FormulaC22H26N8O2S
Molecular Weight466.57 g/mol
Exact Mass466.19
IUPAC Name1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1)N1CCOCC1
InChIInChI=1S/C22H26N8O2S/c31-21(30-7-9-32-10-8-30)15-28-3-5-29(6-4-28)18-1-2-25-20(11-18)27-22-26-14-19(33-22)17-12-23-16-24-13-17/h1-2,11-14,16H,3-10,15H2,(H,25,26,27)
InChIKeyPTSGWEQKQRKXIB-UHFFFAOYSA-N
XLogP1.72
TPSA99.61 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone (CID 15978889) is 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone is O=C(CN1CCN(c2ccnc(Nc3ncc(-c4cncnc4)s3)c2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is PTSGWEQKQRKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O2S/c31-21(30-7-9-32-10-8-30)15-28-3-5-29(6-4-28)18-1-2-25-20(11-18)27-22-26-14-19(33-22)17-12-23-16-24-13-17/h1-2,11-14,16H,3-10,15H2,(H,25,26,27).
What are the key properties of 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 466.57 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[2-[(5-pyrimidin-5-yl-1,3-thiazol-2-yl)amino]-4-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 15978889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).