6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one

C17H22N4O2S — CID 131933859

IUPAC6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2nccs2)nc(=O)[nH]1
InChIInChI=1S/C17H22N4O2S/c1-11(2)9-12-10-13(20-17(23)19-12)16(22)21-7-4-3-5-14(21)15-18-6-8-24-15/h6,8,10-11,14H,3-5,7,9H2,1-2H3,(H,19,20,23)
InChIKeyBZPLRKNUTNAUBU-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.79
Rot. Bonds4

About 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one

6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one (PubChem CID 131933859) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
PubChem CID131933859
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCCCC2c2nccs2)nc(=O)[nH]1
InChIInChI=1S/C17H22N4O2S/c1-11(2)9-12-10-13(20-17(23)19-12)16(22)21-7-4-3-5-14(21)15-18-6-8-24-15/h6,8,10-11,14H,3-5,7,9H2,1-2H3,(H,19,20,23)
InChIKeyBZPLRKNUTNAUBU-UHFFFAOYSA-N
XLogP2.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one (CID 131933859) is 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one is CC(C)Cc1cc(C(=O)N2CCCCC2c2nccs2)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
The InChIKey is BZPLRKNUTNAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-11(2)9-12-10-13(20-17(23)19-12)16(22)21-7-4-3-5-14(21)15-18-6-8-24-15/h6,8,10-11,14H,3-5,7,9H2,1-2H3,(H,19,20,23).
What are the key properties of 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one?
6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 346.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 131933859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).