[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C19H22N6OS — CID 124998077

IUPAC[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2scnc2C)n1
InChIInChI=1S/C19H22N6OS/c1-12-17(27-11-21-12)19(26)25-8-5-4-6-16(25)14-10-15(23-13(2)22-14)18-20-7-9-24(18)3/h7,9-11,16H,4-6,8H2,1-3H3/t16-/m1/s1
InChIKeyRFBLLAXENRUSMJ-MRXNPFEDSA-N
MW382.49 g/mol
LogP3.32
Rot. Bonds3

About [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 124998077) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID124998077
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2scnc2C)n1
InChIInChI=1S/C19H22N6OS/c1-12-17(27-11-21-12)19(26)25-8-5-4-6-16(25)14-10-15(23-13(2)22-14)18-20-7-9-24(18)3/h7,9-11,16H,4-6,8H2,1-3H3/t16-/m1/s1
InChIKeyRFBLLAXENRUSMJ-MRXNPFEDSA-N
XLogP3.32
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110110793
[2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 110099550
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124981878
[(3S)-3-[4-methyl-6-(1-methylimidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124964276
[2-(6-methyl-4-phenyl-2-pyridinyl)pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110092228
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95832696
1,3-dimethyl-7-[(2S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 95834547
[(2R)-2-imidazo[1,2-a]pyridin-5-ylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124972218
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110135398
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216039
[(2R)-2-methylpyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 145068291

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 124998077) is [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1nc(-c2nccn2C)cc([C@H]2CCCCN2C(=O)c2scnc2C)n1.
What is the InChIKey of [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is RFBLLAXENRUSMJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-12-17(27-11-21-12)19(26)25-8-5-4-6-16(25)14-10-15(23-13(2)22-14)18-20-7-9-24(18)3/h7,9-11,16H,4-6,8H2,1-3H3/t16-/m1/s1.
What are the key properties of [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 382.49 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[2-methyl-6-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124998077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).