6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

C24H23N3O3S — CID 3371512

IUPAC6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2C1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H23N3O3S/c1-14-21(15(2)28)22(16-9-11-18(12-10-16)26(3)4)27-23(30)20(31-24(27)25-14)13-17-7-5-6-8-19(17)29/h5-13,22,29H,1-4H3
InChIKeyNFWBVJSFXFONMS-UHFFFAOYSA-N
MW433.53 g/mol
LogP2.60
Rot. Bonds4

About 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (PubChem CID 3371512) has the molecular formula C24H23N3O3S and a molecular weight of 433.53 g/mol. Its IUPAC name is 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.

Molecular Properties

Compound Name6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
PubChem CID3371512
Molecular FormulaC24H23N3O3S
Molecular Weight433.53 g/mol
Exact Mass433.15
IUPAC Name6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
SMILESCC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2C1c1ccc(N(C)C)cc1
InChIInChI=1S/C24H23N3O3S/c1-14-21(15(2)28)22(16-9-11-18(12-10-16)26(3)4)27-23(30)20(31-24(27)25-14)13-17-7-5-6-8-19(17)29/h5-13,22,29H,1-4H3
InChIKeyNFWBVJSFXFONMS-UHFFFAOYSA-N
XLogP2.60
TPSA74.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl (2E)-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5286409
(2E,5R)-6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(4-methoxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 40843900
ethyl (5S)-2-[(2-chlorophenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7014071
methyl (5S)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 7166452
ethyl (2Z,5S)-2-[(2-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 5443639
ethyl (2E)-2-[(2-hydroxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 22304688
ethyl 2-[(2-hydroxyphenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 4153288
ethyl (2E,5S)-2-[(2,3-dimethoxyphenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2293602
ethyl (2E,5R)-2-[(2,3-dimethoxyphenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 2293604
(2E)-6-acetyl-2-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylidene]-5-[4-(dimethylamino)phenyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 11836008
ethyl (5S)-5-[4-(dimethylamino)phenyl]-2-[(3-hydroxyphenyl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 1016427
methyl (2E,5R)-5-[4-(dimethylamino)phenyl]-7-methyl-3-oxo-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98221798

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The IUPAC name of 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one (CID 3371512) is 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one.
What is the SMILES notation for 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The canonical SMILES for 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is CC(=O)C1=C(C)N=c2sc(=Cc3ccccc3O)c(=O)n2C1c1ccc(N(C)C)cc1.
What is the InChIKey of 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
The InChIKey is NFWBVJSFXFONMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3S/c1-14-21(15(2)28)22(16-9-11-18(12-10-16)26(3)4)27-23(30)20(31-24(27)25-14)13-17-7-5-6-8-19(17)29/h5-13,22,29H,1-4H3.
What are the key properties of 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one?
6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one has a molecular weight of 433.53 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-[4-(dimethylamino)phenyl]-2-[(2-hydroxyphenyl)methylidene]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one is sourced from PubChem (CID 3371512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).