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

C21H20N4O4S2 — CID 135427821

IUPAC8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2ccccc2)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2
InChIInChI=1S/C21H20N4O4S2/c26-16-14(18(28)24-8-4-10-30-20(24)22-16)13(12-6-2-1-3-7-12)15-17(27)23-21-25(19(15)29)9-5-11-31-21/h1-3,6-7,13,26-27H,4-5,8-11H2
InChIKeyVTGFDJKIUZDPRQ-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.38
Rot. Bonds3

About 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-phenylmethyl]-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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 135427821) has the molecular formula C21H20N4O4S2 and a molecular weight of 456.55 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)-phenylmethyl]-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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID135427821
Molecular FormulaC21H20N4O4S2
Molecular Weight456.55 g/mol
Exact Mass456.09
IUPAC Name8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESO=c1c(C(c2ccccc2)c2c(O)nc3n(c2=O)CCCS3)c(O)nc2n1CCCS2
InChIInChI=1S/C21H20N4O4S2/c26-16-14(18(28)24-8-4-10-30-20(24)22-16)13(12-6-2-1-3-7-12)15-17(27)23-21-25(19(15)29)9-5-11-31-21/h1-3,6-7,13,26-27H,4-5,8-11H2
InChIKeyVTGFDJKIUZDPRQ-UHFFFAOYSA-N
XLogP2.38
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.38
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)-phenylmethyl]-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-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-phenylmethyl]-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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 135427821) is 8-hydroxy-7-[(8-hydroxy-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-7-yl)-phenylmethyl]-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)-phenylmethyl]-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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is O=c1c(C(c2ccccc2)c2c(O)nc3n(c2=O)CCCS3)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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is VTGFDJKIUZDPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S2/c26-16-14(18(28)24-8-4-10-30-20(24)22-16)13(12-6-2-1-3-7-12)15-17(27)23-21-25(19(15)29)9-5-11-31-21/h1-3,6-7,13,26-27H,4-5,8-11H2.
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)-phenylmethyl]-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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 456.55 g/mol, XLogP of 2.38, 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)-phenylmethyl]-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 135427821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).