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

C15H13N3O2S — CID 4190691

IUPAC6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCc2ccccc21
InChIInChI=1S/C15H13N3O2S/c19-13(17-6-5-10-3-1-2-4-12(10)17)11-9-16-15-18(14(11)20)7-8-21-15/h1-4,9H,5-8H2
InChIKeyWNJTVFQILBSNFP-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.55
Rot. Bonds1

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

6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4190691) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4190691
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCc2ccccc21
InChIInChI=1S/C15H13N3O2S/c19-13(17-6-5-10-3-1-2-4-12(10)17)11-9-16-15-18(14(11)20)7-8-21-15/h1-4,9H,5-8H2
InChIKeyWNJTVFQILBSNFP-UHFFFAOYSA-N
XLogP1.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6937793
6-(4-pyridin-2-yloxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127434629
6-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one;hydrochloride
CID 120749719
6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 39996236
4-(2,3-dihydroindole-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19623835
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 62249938
(3-chloro-4-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 66462242
(4-amino-1,2-thiazol-5-yl)-(2,3-dihydroindol-1-yl)methanone
CID 117218797
5-(2,3-dihydroindole-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 117214703
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032
6-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 86977704
2,3-dihydroindol-1-yl(1,3-thiazol-5-yl)methanone
CID 110856972

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4190691) is 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is WNJTVFQILBSNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-13(17-6-5-10-3-1-2-4-12(10)17)11-9-16-15-18(14(11)20)7-8-21-15/h1-4,9H,5-8H2.
What are the key properties of 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 299.36 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4190691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).