7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H23N3O2S — CID 46357933

IUPAC7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-28-21-10-8-19(9-11-21)16-25(15-18-6-4-3-5-7-18)17-20-14-22(27)26-12-13-29-23(26)24-20/h3-14H,2,15-17H2,1H3
InChIKeyXIMPGJIQBAYIKY-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.36
Rot. Bonds8

About 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46357933) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46357933
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1
InChIInChI=1S/C23H23N3O2S/c1-2-28-21-10-8-19(9-11-21)16-25(15-18-6-4-3-5-7-18)17-20-14-22(27)26-12-13-29-23(26)24-20/h3-14H,2,15-17H2,1H3
InChIKeyXIMPGJIQBAYIKY-UHFFFAOYSA-N
XLogP4.36
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Related Compounds

methyl (2R)-3-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-2-methylpropanoate
CID 94797828
ethyl 2-[(4-methylphenyl)methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetate
CID 48559179
7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17458009
7-[[2-aminoethyl(2-phenylethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 120871527
7-[[2-methoxyethyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357945
2-[carboxymethyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]acetic acid
CID 63646465
7-[[(4-ethoxyphenyl)methyl-propylamino]methyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803527
7-[[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 17448130
7-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112781878
7-[[bis(furan-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8841421
7-[[propyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46357890
7-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135520073

Frequently Asked Questions

What is the IUPAC name of 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46357933) is 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCOc1ccc(CN(Cc2ccccc2)Cc2cc(=O)n3ccsc3n2)cc1.
What is the InChIKey of 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is XIMPGJIQBAYIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-2-28-21-10-8-19(9-11-21)16-25(15-18-6-4-3-5-7-18)17-20-14-22(27)26-12-13-29-23(26)24-20/h3-14H,2,15-17H2,1H3.
What are the key properties of 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 405.52 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[benzyl-[(4-ethoxyphenyl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46357933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).