6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C16H13N3O2S — CID 4187327

IUPAC6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1Cc2ccccc2N1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C16H13N3O2S/c1-10-8-11-4-2-3-5-13(11)19(10)15(21)12-9-17-16-18(14(12)20)6-7-22-16/h2-7,9-10H,8H2,1H3
InChIKeyFSHBMFPMLNKKDH-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.35
Rot. Bonds1

About 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4187327) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4187327
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC1Cc2ccccc2N1C(=O)c1cnc2sccn2c1=O
InChIInChI=1S/C16H13N3O2S/c1-10-8-11-4-2-3-5-13(11)19(10)15(21)12-9-17-16-18(14(12)20)6-7-22-16/h2-7,9-10H,8H2,1H3
InChIKeyFSHBMFPMLNKKDH-UHFFFAOYSA-N
XLogP2.35
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4187327) is 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC1Cc2ccccc2N1C(=O)c1cnc2sccn2c1=O.
What is the InChIKey of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is FSHBMFPMLNKKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-10-8-11-4-2-3-5-13(11)19(10)15(21)12-9-17-16-18(14(12)20)6-7-22-16/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 311.37 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4187327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).