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

C18H22N6S — CID 110099684

IUPAC4-[[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(Cc3cscn3)C2)n1
InChIInChI=1S/C18H22N6S/c1-12-7-19-18(21-12)17-6-16(22-13(2)23-17)14-4-3-5-24(8-14)9-15-10-25-11-20-15/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyFKGSOQAYHBWHCG-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.32
Rot. Bonds4

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

4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 110099684) has the molecular formula C18H22N6S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID110099684
Molecular FormulaC18H22N6S
Molecular Weight354.48 g/mol
Exact Mass354.16
IUPAC Name4-[[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(Cc3cscn3)C2)n1
InChIInChI=1S/C18H22N6S/c1-12-7-19-18(21-12)17-6-16(22-13(2)23-17)14-4-3-5-24(8-14)9-15-10-25-11-20-15/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,21)
InChIKeyFKGSOQAYHBWHCG-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

N-cyclopropyl-4-(1-(2-(thiazol-4-yl)ethyl)piperidin-3-yl)pyrimidin-2-amine
CID 44591284
4-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104366
4-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 51104521
2-Methyl-4-[[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 56882695
2-methyl-4-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}pyridine
CID 70704927
4-methyl-N-[2-methyl-6-(1-pyrimidin-4-ylazetidin-3-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 95842601
4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1H-imidazol-5-yl]-1,3-thiazole
CID 67359396
4-methyl-2-phenyl-5-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-imidazol-5-yl]-1,3-thiazole
CID 67360626
(Z)-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1H-imidazol-2-yl]prop-2-en-1-imine
CID 136950071
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
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-piperidin-3-ylpyrimidin-4-amine
CID 45248129
2,7-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 50955625

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole (CID 110099684) is 4-[[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 4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[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(Cc3cscn3)C2)n1.
What is the InChIKey of 4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is FKGSOQAYHBWHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6S/c1-12-7-19-18(21-12)17-6-16(22-13(2)23-17)14-4-3-5-24(8-14)9-15-10-25-11-20-15/h6-7,10-11,14H,3-5,8-9H2,1-2H3,(H,19,21).
What are the key properties of 4-[[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]methyl]-1,3-thiazole?
4-[[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 4-[[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 110099684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).