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

C13H17N3O3S — CID 115746271

IUPAC6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCC(CCO)C1
InChIInChI=1S/C13H17N3O3S/c17-5-2-9-1-3-15(8-9)11(18)10-7-14-13-16(12(10)19)4-6-20-13/h7,9,17H,1-6,8H2
InChIKeyDBOQDQOUIITXHJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.19
Rot. Bonds3

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

6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 115746271) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID115746271
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=C(c1cnc2n(c1=O)CCS2)N1CCC(CCO)C1
InChIInChI=1S/C13H17N3O3S/c17-5-2-9-1-3-15(8-9)11(18)10-7-14-13-16(12(10)19)4-6-20-13/h7,9,17H,1-6,8H2
InChIKeyDBOQDQOUIITXHJ-UHFFFAOYSA-N
XLogP0.19
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 24567111
ethyl (3S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperidine-3-carboxylate
CID 94480437
6-(4-pyridin-2-yloxypiperidine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 127434629
(3S,4S)-1-(5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951136
6-(4-hydroxy-4-methylazepane-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 107406542
6-[4-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 39996236
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
N-(oxan-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126668325
6-(2,3-dimethylpiperazine-1-carbonyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120569677
5-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 114799275
(3,6-dimethylpyridazin-4-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115877445

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 115746271) is 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2n(c1=O)CCS2)N1CCC(CCO)C1.
What is the InChIKey of 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is DBOQDQOUIITXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-5-2-9-1-3-15(8-9)11(18)10-7-14-13-16(12(10)19)4-6-20-13/h7,9,17H,1-6,8H2.
What are the key properties of 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 295.36 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 115746271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).