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

C15H24N4O2S — CID 4912001

IUPAC7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(NN2CCOCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C15H24N4O2S/c1-2-3-4-5-12-13(17-18-6-9-21-10-7-18)16-15-19(14(12)20)8-11-22-15/h17H,2-11H2,1H3
InChIKeyONGLTQVEOGQMGD-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.74
Rot. Bonds6

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

7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4912001) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4912001
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(NN2CCOCC2)nc2n(c1=O)CCS2
InChIInChI=1S/C15H24N4O2S/c1-2-3-4-5-12-13(17-18-6-9-21-10-7-18)16-15-19(14(12)20)8-11-22-15/h17H,2-11H2,1H3
InChIKeyONGLTQVEOGQMGD-UHFFFAOYSA-N
XLogP1.74
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4912001) is 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCCc1c(NN2CCOCC2)nc2n(c1=O)CCS2.
What is the InChIKey of 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ONGLTQVEOGQMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-3-4-5-12-13(17-18-6-9-21-10-7-18)16-15-19(14(12)20)8-11-22-15/h17H,2-11H2,1H3.
What are the key properties of 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 324.45 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholin-4-ylamino)-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4912001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).