7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H23N3O2S — CID 4901367

IUPAC7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(N2CCOCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C15H23N3O2S/c1-2-3-4-5-12-13(17-6-9-20-10-7-17)16-15-18(14(12)19)8-11-21-15/h2-11H2,1H3
InChIKeyYZZIBASUWPZNDS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.92
Rot. Bonds5

About 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4901367) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4901367
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(N2CCOCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C15H23N3O2S/c1-2-3-4-5-12-13(17-6-9-20-10-7-17)16-15-18(14(12)19)8-11-21-15/h2-11H2,1H3
InChIKeyYZZIBASUWPZNDS-UHFFFAOYSA-N
XLogP1.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4901367) is 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCCc1c(N2CCOCC2)nc2n(c1=O)CCS2.
What is the InChIKey of 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YZZIBASUWPZNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-2-3-4-5-12-13(17-6-9-20-10-7-17)16-15-18(14(12)19)8-11-21-15/h2-11H2,1H3.
What are the key properties of 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 309.44 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4901367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).