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

C11H16N2O2S — CID 135648652

IUPAC7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(O)nc2n(c1=O)CCS2
InChIInChI=1S/C11H16N2O2S/c1-2-3-4-5-8-9(14)12-11-13(10(8)15)6-7-16-11/h14H,2-7H2,1H3
InChIKeyKMJCGBWHVTUMQH-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.79
Rot. Bonds4

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

7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135648652) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135648652
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCCCCc1c(O)nc2n(c1=O)CCS2
InChIInChI=1S/C11H16N2O2S/c1-2-3-4-5-8-9(14)12-11-13(10(8)15)6-7-16-11/h14H,2-7H2,1H3
InChIKeyKMJCGBWHVTUMQH-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135648652) is 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCCCCc1c(O)nc2n(c1=O)CCS2.
What is the InChIKey of 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is KMJCGBWHVTUMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-2-3-4-5-8-9(14)12-11-13(10(8)15)6-7-16-11/h14H,2-7H2,1H3.
What are the key properties of 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 240.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-pentyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).