3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C18H12N2OS — CID 623989

IUPAC3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C18H12N2OS/c21-17-11-15(13-7-3-1-4-8-13)19-18-20(17)16(12-22-18)14-9-5-2-6-10-14/h1-12H
InChIKeyLOVYXLDJUKYOIS-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.09
Rot. Bonds2

About 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one

3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 623989) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID623989
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1cc(-c2ccccc2)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C18H12N2OS/c21-17-11-15(13-7-3-1-4-8-13)19-18-20(17)16(12-22-18)14-9-5-2-6-10-14/h1-12H
InChIKeyLOVYXLDJUKYOIS-UHFFFAOYSA-N
XLogP4.09
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Chloromethyl)-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2363746
3-(4-Chlorophenyl)-7-methyl-5H-pyrimido[2,1-b][1,3]thiazol-5-one
CID 319068
2-[(2-fluorobenzyl)thio]-6-phenyl-4(3H)-pyrimidinone
CID 135403416
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 12514894
2-(Benzylsulfanyl)-4-hydroxy-6-phenyl-5-pyrimidinecarbonitrile
CID 135418920
3-Benzyl-2-ethylsulfanyl-6-methyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 3245315
N-benzyl-2-[(3-benzyl-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 3311767
N-benzyl-N-ethyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135416815
7-[[Bis(prop-2-enyl)amino]methyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4782338
AC1LF3J2
CID 135423689
N-(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)benzamide
CID 118389733
N-benzyl-N-ethyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135410606

Frequently Asked Questions

What is the IUPAC name of 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 623989) is 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1cc(-c2ccccc2)nc2scc(-c3ccccc3)n12.
What is the InChIKey of 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is LOVYXLDJUKYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-17-11-15(13-7-3-1-4-8-13)19-18-20(17)16(12-22-18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 304.37 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 623989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).