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

C18H22N6S — CID 110099660

IUPAC5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(-c2ncc(C)[nH]2)nc(C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C18H22N6S/c1-12-7-16(18-20-8-13(2)22-18)23-17(21-12)14-3-5-24(6-4-14)10-15-9-19-11-25-15/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,22)
InChIKeyXSZMCVJMZNFKOB-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.32
Rot. Bonds4

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

5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099660) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099660
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole
SMILESCc1cc(-c2ncc(C)[nH]2)nc(C2CCN(Cc3cncs3)CC2)n1
InChIInChI=1S/C18H22N6S/c1-12-7-16(18-20-8-13(2)22-18)23-17(21-12)14-3-5-24(6-4-14)10-15-9-19-11-25-15/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,22)
InChIKeyXSZMCVJMZNFKOB-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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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099660) is 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is Cc1cc(-c2ncc(C)[nH]2)nc(C2CCN(Cc3cncs3)CC2)n1.
What is the InChIKey of 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is XSZMCVJMZNFKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-12-7-16(18-20-8-13(2)22-18)23-17(21-12)14-3-5-24(6-4-14)10-15-9-19-11-25-15/h7-9,11,14H,3-6,10H2,1-2H3,(H,20,22).
What are the key properties of 5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole?
5-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-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-[[4-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 110099660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).