ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

C23H32N8OS — CID 143591666

IUPACethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCC.CN1CCN(c2nc(Nc3ncc(-c4ccncc4)s3)cc(N3CCOCC3)n2)CC1
InChIInChI=1S/C21H26N8OS.C2H6/c1-27-6-8-29(9-7-27)20-24-18(14-19(26-20)28-10-12-30-13-11-28)25-21-23-15-17(31-21)16-2-4-22-5-3-16;1-2/h2-5,14-15H,6-13H2,1H3,(H,23,24,25,26);1-2H3
InChIKeyTVBBFQCSQSNYOC-UHFFFAOYSA-N
MW468.63 g/mol
LogP3.35
Rot. Bonds5

About ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine

ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 143591666) has the molecular formula C23H32N8OS and a molecular weight of 468.63 g/mol. Its IUPAC name is ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID143591666
Molecular FormulaC23H32N8OS
Molecular Weight468.63 g/mol
Exact Mass468.24
IUPAC Nameethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCC.CN1CCN(c2nc(Nc3ncc(-c4ccncc4)s3)cc(N3CCOCC3)n2)CC1
InChIInChI=1S/C21H26N8OS.C2H6/c1-27-6-8-29(9-7-27)20-24-18(14-19(26-20)28-10-12-30-13-11-28)25-21-23-15-17(31-21)16-2-4-22-5-3-16;1-2/h2-5,14-15H,6-13H2,1H3,(H,23,24,25,26);1-2H3
InChIKeyTVBBFQCSQSNYOC-UHFFFAOYSA-N
XLogP3.35
TPSA82.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.63
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Launch Full Analysis

Related Compounds

N-[4-[4-(3-morpholin-4-ylpropyl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-4-yl-1,3-thiazol-2-amine
CID 24829522
5-methyl-N-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 139474272
N-[5-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-2-pyridinyl]-5-phenyl-1,3-thiazol-2-amine
CID 59507574
5-(6-methyl-3-pyridinyl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979013
(2S)-2-(methylamino)-N-[(3S)-1-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]propanamide
CID 155589648
2-(methylamino)-N-[(3S)-1-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]propanamide
CID 175353941
2-[4-[2-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-1,3-thiazol-5-yl]phenyl]acetonitrile
CID 24831621
N-[4-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-(2-phenyl-4-pyridinyl)-1,3-thiazol-2-amine
CID 24831962
(2S)-N-[(3S)-1-[2-methyl-6-[(5-pyridin-4-yl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 163288628
N-[4-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-5-pyridin-2-yl-1,3-thiazol-2-amine
CID 134605332
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 75989634
3-[4-(4-methylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]phenol
CID 123635804

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine (CID 143591666) is ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine is CC.CN1CCN(c2nc(Nc3ncc(-c4ccncc4)s3)cc(N3CCOCC3)n2)CC1.
What is the InChIKey of ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is TVBBFQCSQSNYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS.C2H6/c1-27-6-8-29(9-7-27)20-24-18(14-19(26-20)28-10-12-30-13-11-28)25-21-23-15-17(31-21)16-2-4-22-5-3-16;1-2/h2-5,14-15H,6-13H2,1H3,(H,23,24,25,26);1-2H3.
What are the key properties of ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine?
ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 468.63 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(4-methylpiperazin-1-yl)-6-morpholin-4-ylpyrimidin-4-yl]-5-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 143591666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).