2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

C18H21N5O3S — CID 154820440

IUPAC2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)C3CC(=O)N(c4nccs4)C3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H21N5O3S/c1-11-20-14(9-15(24)21-11)12-2-5-22(6-3-12)17(26)13-8-16(25)23(10-13)18-19-4-7-27-18/h4,7,9,12-13H,2-3,5-6,8,10H2,1H3,(H,20,21,24)
InChIKeySEEFHFJCUFLYEO-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 154820440) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID154820440
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)C3CC(=O)N(c4nccs4)C3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H21N5O3S/c1-11-20-14(9-15(24)21-11)12-2-5-22(6-3-12)17(26)13-8-16(25)23(10-13)18-19-4-7-27-18/h4,7,9,12-13H,2-3,5-6,8,10H2,1H3,(H,20,21,24)
InChIKeySEEFHFJCUFLYEO-UHFFFAOYSA-N
XLogP1.29
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136715636
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 154564256
(4S)-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1,3-thiazol-2-yl)pyrrolidin-2-one
CID 97018535
1-(2,3-dimethylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 42930463
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816696
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-one
CID 155504376
(4R)-1-(3-propan-2-ylphenyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 39977915
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
2-methyl-4-[1-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136845342
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 137296107
2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-4-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 136881665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 154820440) is 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)C3CC(=O)N(c4nccs4)C3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is SEEFHFJCUFLYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-11-20-14(9-15(24)21-11)12-2-5-22(6-3-12)17(26)13-8-16(25)23(10-13)18-19-4-7-27-18/h4,7,9,12-13H,2-3,5-6,8,10H2,1H3,(H,20,21,24).
What are the key properties of 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 387.47 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[5-oxo-1-(1,3-thiazol-2-yl)pyrrolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154820440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).