8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C12H18N2O2S — CID 135584595

IUPAC8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C12H18N2O2S/c1-2-3-4-6-9-10(15)13-12-14(11(9)16)7-5-8-17-12/h15H,2-8H2,1H3
InChIKeyOBJSHVKGZHDIKO-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.18
Rot. Bonds4

About 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135584595) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135584595
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCCCCCc1c(O)nc2n(c1=O)CCCS2
InChIInChI=1S/C12H18N2O2S/c1-2-3-4-6-9-10(15)13-12-14(11(9)16)7-5-8-17-12/h15H,2-8H2,1H3
InChIKeyOBJSHVKGZHDIKO-UHFFFAOYSA-N
XLogP2.18
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-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 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135584595) is 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is CCCCCc1c(O)nc2n(c1=O)CCCS2.
What is the InChIKey of 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is OBJSHVKGZHDIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-2-3-4-6-9-10(15)13-12-14(11(9)16)7-5-8-17-12/h15H,2-8H2,1H3.
What are the key properties of 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 254.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-pentyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135584595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).