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

C13H11ClN2O2S — CID 135645308

IUPAC6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccccc2Cl)c(O)nc2n1CCS2
InChIInChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-9-11(17)15-13-16(12(9)18)5-6-19-13/h1-4,17H,5-7H2
InChIKeyNFLBQJPKLZDIPL-UHFFFAOYSA-N
MW294.76 g/mol
LogP2.30
Rot. Bonds2

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

6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 135645308) has the molecular formula C13H11ClN2O2S and a molecular weight of 294.76 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID135645308
Molecular FormulaC13H11ClN2O2S
Molecular Weight294.76 g/mol
Exact Mass294.02
IUPAC Name6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESO=c1c(Cc2ccccc2Cl)c(O)nc2n1CCS2
InChIInChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-9-11(17)15-13-16(12(9)18)5-6-19-13/h1-4,17H,5-7H2
InChIKeyNFLBQJPKLZDIPL-UHFFFAOYSA-N
XLogP2.30
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Nuclomedone
CID 128798
6-benzyl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135415833
6-(4-chlorophenyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3682678
6,6'-((4-chlorophenyl)methylene)bis(7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one)
CID 135533982
2-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-3-cyclopentyl-6-hydroxypyrimidin-4-one
CID 135417135
6-(4-fluorobenzyl)-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135645306
5-(2-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16433406
6-benzhydryl-7-hydroxy-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 135503289
7-hydroxy-6-(4-methylbenzyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135474968
6-(4-chlorobenzyl)-7-hydroxy-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135645309
6-[(2-Chloro-6-fluorophenyl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 44126782
2-[(1-allyl-5-benzyl-4-hydroxy-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N,N-diethylacetamide
CID 135447205

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 135645308) is 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=c1c(Cc2ccccc2Cl)c(O)nc2n1CCS2.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NFLBQJPKLZDIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2S/c14-10-4-2-1-3-8(10)7-9-11(17)15-13-16(12(9)18)5-6-19-13/h1-4,17H,5-7H2.
What are the key properties of 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 294.76 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]-7-hydroxy-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 135645308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).