5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole

C18H22N6S — CID 110099688

IUPAC5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(Cc3cncs3)C2)n1
InChIInChI=1S/C18H22N6S/c1-12-7-20-18(21-12)17-6-16(22-13(2)23-17)14-4-3-5-24(9-14)10-15-8-19-11-25-15/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKeyJLJHLSDEFKIMTE-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.32
Rot. Bonds4

About 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole

5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099688) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099688
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(Cc3cncs3)C2)n1
InChIInChI=1S/C18H22N6S/c1-12-7-20-18(21-12)17-6-16(22-13(2)23-17)14-4-3-5-24(9-14)10-15-8-19-11-25-15/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,20,21)
InChIKeyJLJHLSDEFKIMTE-UHFFFAOYSA-N
XLogP3.32
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(cis-3-aminocyclobutyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)pyrimidin-4-amine
CID 91766576
5-methyl-N-[2-methyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110269492
2-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-5-(trifluoromethyl)-1,3-thiazole
CID 133509022
4-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099475
4-methyl-5-[[3-[[6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099476
4-[[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 110099523
5-[[4-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099659
4-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099683
4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099684
5-[[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099687
5-[[3-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-4-methyl-1,3-thiazole
CID 110099888
5-[[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
CID 110099993

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099688) is 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1nc(-c2ncc(C)[nH]2)cc(C2CCCN(Cc3cncs3)C2)n1.
What is the InChIKey of 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is JLJHLSDEFKIMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-12-7-20-18(21-12)17-6-16(22-13(2)23-17)14-4-3-5-24(9-14)10-15-8-19-11-25-15/h6-8,11,14H,3-5,9-10H2,1-2H3,(H,20,21).
What are the key properties of 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 354.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).