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

C16H15N3O2S — CID 6937793

IUPAC6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C16H15N3O2S/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/h2-5,9-10H,6-8H2,1H3/t10-/m1/s1
InChIKeyHPDFPQUQBVMZTJ-SNVBAGLBSA-N
MW313.38 g/mol
LogP1.94
Rot. Bonds1

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

6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 6937793) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID6937793
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C16H15N3O2S/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/h2-5,9-10H,6-8H2,1H3/t10-/m1/s1
InChIKeyHPDFPQUQBVMZTJ-SNVBAGLBSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4190691
2,3-dimethyl-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 133265038
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(3S)-7-methyl-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 97041295
6-[(2S,5S)-2,5-dimethylmorpholine-4-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 94150514
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
6-(2,3-dimethylpiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120569677
(2-methyl-2,3-dihydroindol-1-yl)-(3-methyl-4-pyridinyl)methanone
CID 110863904
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(2-methyl-2,3-dihydroindol-1-yl)-(1,3-thiazol-5-yl)methanone
CID 110863849

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 6937793) is 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is C[C@@H]1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is HPDFPQUQBVMZTJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N3O2S/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/h2-5,9-10H,6-8H2,1H3/t10-/m1/s1.
What are the key properties of 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 313.38 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 6937793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).