6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

C13H12N2O3S — CID 13131698

IUPAC6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESCOc1ccccc1C1C(=O)N=C2SCCN2C1=O
InChIInChI=1S/C13H12N2O3S/c1-18-9-5-3-2-4-8(9)10-11(16)14-13-15(12(10)17)6-7-19-13/h2-5,10H,6-7H2,1H3
InChIKeyLRINHMCPSOVCAP-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.25
Rot. Bonds2

About 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione

6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (PubChem CID 13131698) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
PubChem CID13131698
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione
SMILESCOc1ccccc1C1C(=O)N=C2SCCN2C1=O
InChIInChI=1S/C13H12N2O3S/c1-18-9-5-3-2-4-8(9)10-11(16)14-13-15(12(10)17)6-7-19-13/h2-5,10H,6-7H2,1H3
InChIKeyLRINHMCPSOVCAP-UHFFFAOYSA-N
XLogP1.25
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-one
CID 10753827
(6E)-6-[(2-methoxyphenyl)methylidene]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-one
CID 10730056
5-amino-3-ethyl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 79967269
methyl 6-(2-methoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
CID 44614913
5-amino-4-(2,3-dimethoxyphenyl)-3-methyl-4H-imidazol-2-one
CID 79959271
9-(2-methoxyphenyl)-9H-fluorene
CID 10492416
1-hydroxy-4-(2-methoxyphenyl)piperidine
CID 154170969
5-amino-3-but-3-yn-2-yl-4-(2-methoxyphenyl)-4H-imidazol-2-one
CID 114420923
4-hydroxy-3-(2-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 118535332
(2R,6S,7S,9S,13S,14S)-4,11-diethyl-7,14-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124823036
4-(2-methoxyphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid
CID 22299165
(5R)-5-(2-methoxyphenyl)imidazolidine-2,4-dione
CID 94255380

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The IUPAC name of 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione (CID 13131698) is 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione.
What is the SMILES notation for 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The canonical SMILES for 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is COc1ccccc1C1C(=O)N=C2SCCN2C1=O.
What is the InChIKey of 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
The InChIKey is LRINHMCPSOVCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-18-9-5-3-2-4-8(9)10-11(16)14-13-15(12(10)17)6-7-19-13/h2-5,10H,6-7H2,1H3.
What are the key properties of 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione?
6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione has a molecular weight of 276.32 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-5,7-dione is sourced from PubChem (CID 13131698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).