[(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

C20H23N5O2S — CID 124981878

IUPAC[(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
SMILESCc1cc([C@@H]2CCCCN2C(=O)c2scnc2C)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C20H23N5O2S/c1-11-9-15(23-19(22-11)17-12(2)24-27-14(17)4)16-7-5-6-8-25(16)20(26)18-13(3)21-10-28-18/h9-10,16H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyMTFPWUXGYOGVGH-INIZCTEOSA-N
MW397.50 g/mol
LogP4.19
Rot. Bonds3

About [(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

[(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 (PubChem CID 124981878) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID124981878
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name[(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
SMILESCc1cc([C@@H]2CCCCN2C(=O)c2scnc2C)nc(-c2c(C)noc2C)n1
InChIInChI=1S/C20H23N5O2S/c1-11-9-15(23-19(22-11)17-12(2)24-27-14(17)4)16-7-5-6-8-25(16)20(26)18-13(3)21-10-28-18/h9-10,16H,5-8H2,1-4H3/t16-/m0/s1
InChIKeyMTFPWUXGYOGVGH-INIZCTEOSA-N
XLogP4.19
TPSA85.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[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
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-methyl-2-pyridinyl)methanone
CID 110129480
[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 110129411
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 125022078
[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 124994489
3-amino-1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004818
3-amino-1-[(2R)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 125004819
1-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124996936
[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
5-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216039
3-[(2S)-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methylpyrimidin-4-yl]piperidin-1-yl]propanamide
CID 124966656

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is Cc1cc([C@@H]2CCCCN2C(=O)c2scnc2C)nc(-c2c(C)noc2C)n1.
What is the InChIKey of [(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?
The InChIKey is MTFPWUXGYOGVGH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-11-9-15(23-19(22-11)17-12(2)24-27-14(17)4)16-7-5-6-8-25(16)20(26)18-13(3)21-10-28-18/h9-10,16H,5-8H2,1-4H3/t16-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 397.50 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 124981878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).