6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H16N2O2S — CID 135503289

IUPAC6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(C(c2ccccc2)c2ccccc2)c(O)nc2n1CCS2
InChIInChI=1S/C19H16N2O2S/c22-17-16(18(23)21-11-12-24-19(21)20-17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2
InChIKeyGXRXXICGDGXRBB-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.23
Rot. Bonds3

About 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135503289) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135503289
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(C(c2ccccc2)c2ccccc2)c(O)nc2n1CCS2
InChIInChI=1S/C19H16N2O2S/c22-17-16(18(23)21-11-12-24-19(21)20-17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2
InChIKeyGXRXXICGDGXRBB-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135415833
6,6'-((4-fluorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135478180
6-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3845245
6,6-dimethyl-5,6,9,10-tetrahydro-7H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-7-one
CID 767493
6-ethyl-6-methyl-9,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-7(6H)-one
CID 2905156
3-allyl-5-benzyl-6-hydroxy-2-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-4(3H)-pyrimidinone
CID 135447207
6,6'-(phenylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135476856
6,6'-(naphthalen-1-ylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135491581
7-benzyl-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135439007
5-(Diphenylmethyl)-6-hydroxy-2-(2-morpholin-4-yl-2-oxoethylthio)-3-hydropyrimi din-4-one
CID 3149885
6,6'-(p-tolylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135401480
7,7'-(phenylmethylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135427821

Frequently Asked Questions

What is the IUPAC name of 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135503289) is 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(C(c2ccccc2)c2ccccc2)c(O)nc2n1CCS2.
What is the InChIKey of 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GXRXXICGDGXRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-17-16(18(23)21-11-12-24-19(21)20-17)15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,22H,11-12H2.
What are the key properties of 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 336.42 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135503289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).