7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H14N6O4S2 — CID 135511457

IUPAC7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)c(C(c3ccccc3)c3c(O)nc4sc(C)nn4c3=O)c(O)nc2s1
InChIInChI=1S/C19H14N6O4S2/c1-8-22-24-16(28)12(14(26)20-18(24)30-8)11(10-6-4-3-5-7-10)13-15(27)21-19-25(17(13)29)23-9(2)31-19/h3-7,11,26-27H,1-2H3
InChIKeyQVNIZCYHCBTPEV-UHFFFAOYSA-N
MW454.49 g/mol
LogP1.82
Rot. Bonds3

About 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135511457) has the molecular formula C19H14N6O4S2 and a molecular weight of 454.49 g/mol. Its IUPAC name is 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID135511457
Molecular FormulaC19H14N6O4S2
Molecular Weight454.49 g/mol
Exact Mass454.05
IUPAC Name7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn2c(=O)c(C(c3ccccc3)c3c(O)nc4sc(C)nn4c3=O)c(O)nc2s1
InChIInChI=1S/C19H14N6O4S2/c1-8-22-24-16(28)12(14(26)20-18(24)30-8)11(10-6-4-3-5-7-10)13-15(27)21-19-25(17(13)29)23-9(2)31-19/h3-7,11,26-27H,1-2H3
InChIKeyQVNIZCYHCBTPEV-UHFFFAOYSA-N
XLogP1.82
TPSA134.98 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[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-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 135511457) is 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1nn2c(=O)c(C(c3ccccc3)c3c(O)nc4sc(C)nn4c3=O)c(O)nc2s1.
What is the InChIKey of 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is QVNIZCYHCBTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O4S2/c1-8-22-24-16(28)12(14(26)20-18(24)30-8)11(10-6-4-3-5-7-10)13-15(27)21-19-25(17(13)29)23-9(2)31-19/h3-7,11,26-27H,1-2H3.
What are the key properties of 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 454.49 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[(7-hydroxy-2-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-yl)-phenylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135511457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).