7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C14H14N2O2S — CID 135474968

IUPAC7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(Cc2c(O)nc3n(c2=O)CCS3)cc1
InChIInChI=1S/C14H14N2O2S/c1-9-2-4-10(5-3-9)8-11-12(17)15-14-16(13(11)18)6-7-19-14/h2-5,17H,6-8H2,1H3
InChIKeyAEYGCPRWNHEGSR-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.95
Rot. Bonds2

About 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135474968) has the molecular formula C14H14N2O2S and a molecular weight of 274.34 g/mol. Its IUPAC name is 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135474968
Molecular FormulaC14H14N2O2S
Molecular Weight274.34 g/mol
Exact Mass274.08
IUPAC Name7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc(Cc2c(O)nc3n(c2=O)CCS3)cc1
InChIInChI=1S/C14H14N2O2S/c1-9-2-4-10(5-3-9)8-11-12(17)15-14-16(13(11)18)6-7-19-14/h2-5,17H,6-8H2,1H3
InChIKeyAEYGCPRWNHEGSR-UHFFFAOYSA-N
XLogP1.95
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.95
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
5H-Thiazolo(3,2-a)pyrimidin-5-one, 2,3,6,7-tetrahydro-7-phenyl-
CID 3067452
5-benzyl-2-(ethylsulfanyl)-6-hydroxypyrimidin-4(3H)-one
CID 780368
6,6'-(phenylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135476856
2-(2-Diethylamino-ethylsulfanyl)-6-hydroxy-5-phenyl-3H-pyrimidin-4-one
CID 2879228
7-benzyl-8-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135439007
6,6'-(p-tolylmethylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135401480
2-(benzylthio)-3-sec-butyl-5-ethyl-6-hydroxy-4(3H)-pyrimidinone
CID 135435963
6-amino-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}-5-phenyl-4(1H)-pyrimidinone
CID 135447974
2-[(6-amino-4-oxo-5-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N,N-diethylacetamide
CID 135431424

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135474968) is 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc(Cc2c(O)nc3n(c2=O)CCS3)cc1.
What is the InChIKey of 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AEYGCPRWNHEGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-9-2-4-10(5-3-9)8-11-12(17)15-14-16(13(11)18)6-7-19-14/h2-5,17H,6-8H2,1H3.
What are the key properties of 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 274.34 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-[(4-methylphenyl)methyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135474968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).