8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C25H22N4O4S2 — CID 135492050

IUPAC8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2c(O)nc3n(c2=O)CCCS3)c2cccc3ccccc23)c(O)nc2n1CCCS2
InChIInChI=1S/C25H22N4O4S2/c30-20-18(22(32)28-10-4-12-34-24(28)26-20)17(16-9-3-7-14-6-1-2-8-15(14)16)19-21(31)27-25-29(23(19)33)11-5-13-35-25/h1-3,6-9,17,30-31H,4-5,10-13H2
InChIKeyITJZWUZDFYQZAX-UHFFFAOYSA-N
MW506.61 g/mol
LogP3.54
Rot. Bonds3

About 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135492050) has the molecular formula C25H22N4O4S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135492050
Molecular FormulaC25H22N4O4S2
Molecular Weight506.61 g/mol
Exact Mass506.11
IUPAC Name8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2c(O)nc3n(c2=O)CCCS3)c2cccc3ccccc23)c(O)nc2n1CCCS2
InChIInChI=1S/C25H22N4O4S2/c30-20-18(22(32)28-10-4-12-34-24(28)26-20)17(16-9-3-7-14-6-1-2-8-15(14)16)19-21(31)27-25-29(23(19)33)11-5-13-35-25/h1-3,6-9,17,30-31H,4-5,10-13H2
InChIKeyITJZWUZDFYQZAX-UHFFFAOYSA-N
XLogP3.54
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135492050) is 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C(c2c(O)nc3n(c2=O)CCCS3)c2cccc3ccccc23)c(O)nc2n1CCCS2.
What is the InChIKey of 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is ITJZWUZDFYQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4S2/c30-20-18(22(32)28-10-4-12-34-24(28)26-20)17(16-9-3-7-14-6-1-2-8-15(14)16)19-21(31)27-25-29(23(19)33)11-5-13-35-25/h1-3,6-9,17,30-31H,4-5,10-13H2.
What are the key properties of 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 506.61 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-naphthalen-1-ylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135492050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).