7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione

C11H9N3O2S — CID 164888401

IUPAC7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione
SMILESO=C1Nc2sc(=O)[nH]c2C(c2ccccc2)N1
InChIInChI=1S/C11H9N3O2S/c15-10-12-7(6-4-2-1-3-5-6)8-9(14-10)17-11(16)13-8/h1-5,7H,(H,13,16)(H2,12,14,15)
InChIKeyNALQKMWUWMHNBC-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.66
Rot. Bonds1

About 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione

7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione (PubChem CID 164888401) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione
PubChem CID164888401
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione
SMILESO=C1Nc2sc(=O)[nH]c2C(c2ccccc2)N1
InChIInChI=1S/C11H9N3O2S/c15-10-12-7(6-4-2-1-3-5-6)8-9(14-10)17-11(16)13-8/h1-5,7H,(H,13,16)(H2,12,14,15)
InChIKeyNALQKMWUWMHNBC-UHFFFAOYSA-N
XLogP1.66
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-(411C)1,3-diazolidine-2,4-dione
CID 90678716
5,6-dimethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 58398991
(4R)-5-benzoyl-6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 701290
5-nitro-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 555860
(4R)-5-acetyl-4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7379197
5-(4-phenylphenyl)imidazolidine-2,4-dione
CID 16788632
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
5-acetyl-6-ethyl-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 20707073
(1S)-1-phenyl-2,4-dihydro-1H-benzo[f]quinazolin-3-one
CID 6936217
2-(carbamoylamino)-2-phenylacetic acid;5-phenylimidazolidine-2,4-dione
CID 67842876
ethyl (4R)-6-(iodomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1109021
(4R)-5-benzoyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 745700

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione?
The IUPAC name of 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione (CID 164888401) is 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione is O=C1Nc2sc(=O)[nH]c2C(c2ccccc2)N1.
What is the InChIKey of 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione?
The InChIKey is NALQKMWUWMHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-10-12-7(6-4-2-1-3-5-6)8-9(14-10)17-11(16)13-8/h1-5,7H,(H,13,16)(H2,12,14,15).
What are the key properties of 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione?
7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione has a molecular weight of 247.28 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1,4,6,7-tetrahydro-[1,3]thiazolo[5,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 164888401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).