6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile

C19H22N8OS — CID 163346501

IUPAC6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESCc1cc(N2CCN(c3nc4sccn4c3C#N)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22N8OS/c1-14-12-16(22-18(21-14)26-6-9-28-10-7-26)24-2-4-25(5-3-24)17-15(13-20)27-8-11-29-19(27)23-17/h8,11-12H,2-7,9-10H2,1H3
InChIKeyYGSCENRQHCVJJV-UHFFFAOYSA-N
MW410.51 g/mol
LogP1.53
Rot. Bonds3

About 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile

6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile (PubChem CID 163346501) has the molecular formula C19H22N8OS and a molecular weight of 410.51 g/mol. Its IUPAC name is 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.

Molecular Properties

Compound Name6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
PubChem CID163346501
Molecular FormulaC19H22N8OS
Molecular Weight410.51 g/mol
Exact Mass410.16
IUPAC Name6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
SMILESCc1cc(N2CCN(c3nc4sccn4c3C#N)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H22N8OS/c1-14-12-16(22-18(21-14)26-6-9-28-10-7-26)24-2-4-25(5-3-24)17-15(13-20)27-8-11-29-19(27)23-17/h8,11-12H,2-7,9-10H2,1H3
InChIKeyYGSCENRQHCVJJV-UHFFFAOYSA-N
XLogP1.53
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-[4-[4-(dimethylamino)-6-methylpyrimidin-2-yl]piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile
CID 163346315
3-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155800265
2-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 146079860
4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 163345940
2-fluoro-4-[4-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 171690574
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348
4-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112912286
4-[6-methyl-2-[4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800926
2-fluoro-6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 166601379
4-[6-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 163345543
1-[[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163351063
1-adamantyl-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122339971

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The IUPAC name of 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile (CID 163346501) is 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile.
What is the SMILES notation for 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The canonical SMILES for 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile is Cc1cc(N2CCN(c3nc4sccn4c3C#N)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
The InChIKey is YGSCENRQHCVJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8OS/c1-14-12-16(22-18(21-14)26-6-9-28-10-7-26)24-2-4-25(5-3-24)17-15(13-20)27-8-11-29-19(27)23-17/h8,11-12H,2-7,9-10H2,1H3.
What are the key properties of 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile?
6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile has a molecular weight of 410.51 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]imidazo[2,1-b][1,3]thiazole-5-carbonitrile is sourced from PubChem (CID 163346501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).