3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one

C19H16N6O2S — CID 137296054

IUPAC3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(N2CCN(c3ncccn3)CC2)nc1O
InChIInChI=1S/C19H16N6O2S/c26-16-14(12-4-1-2-5-13(12)22-16)15-17(27)23-19(28-15)25-10-8-24(9-11-25)18-20-6-3-7-21-18/h1-7,27H,8-11H2
InChIKeyHFDRADILIBHUDC-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.32
Rot. Bonds3

About 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one

3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one (PubChem CID 137296054) has the molecular formula C19H16N6O2S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one.

Molecular Properties

Compound Name3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
PubChem CID137296054
Molecular FormulaC19H16N6O2S
Molecular Weight392.44 g/mol
Exact Mass392.11
IUPAC Name3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1sc(N2CCN(c3ncccn3)CC2)nc1O
InChIInChI=1S/C19H16N6O2S/c26-16-14(12-4-1-2-5-13(12)22-16)15-17(27)23-19(28-15)25-10-8-24(9-11-25)18-20-6-3-7-21-18/h1-7,27H,8-11H2
InChIKeyHFDRADILIBHUDC-UHFFFAOYSA-N
XLogP0.32
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one with MolForge

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Related Compounds

3-[4-hydroxy-2-[(2Z)-2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]hydrazinyl]-1,3-thiazol-5-yl]indol-2-one
CID 135949620
3-[3-(2-chlorophenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 1287047
3-[3-(2-ethylphenyl)-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl]indol-2-one
CID 4515352
4-hydroxy-3-(naphthalen-1-ylmethyl)-5-(2-oxoindol-3-yl)-1,3-thiazol-2-one
CID 137131441
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid
CID 140976987
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
3-(4-hydroxy-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl)-5-methylindol-2-one
CID 1271404
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
The IUPAC name of 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one (CID 137296054) is 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one.
What is the SMILES notation for 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
The canonical SMILES for 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one is O=C1N=c2ccccc2=C1c1sc(N2CCN(c3ncccn3)CC2)nc1O.
What is the InChIKey of 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
The InChIKey is HFDRADILIBHUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2S/c26-16-14(12-4-1-2-5-13(12)22-16)15-17(27)23-19(28-15)25-10-8-24(9-11-25)18-20-6-3-7-21-18/h1-7,27H,8-11H2.
What are the key properties of 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one?
3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one has a molecular weight of 392.44 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]indol-2-one is sourced from PubChem (CID 137296054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).