5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C24H26FN5OS — CID 10195168

IUPAC5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N(CCN)Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN5OS/c1-2-20(29(13-12-26)14-18-8-10-19(25)11-9-18)22-28-23-21(27-16-32-23)24(31)30(22)15-17-6-4-3-5-7-17/h3-11,16,20H,2,12-15,26H2,1H3
InChIKeyUQLLOLCQOMXQLP-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.95
Rot. Bonds9

About 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 10195168) has the molecular formula C24H26FN5OS and a molecular weight of 451.57 g/mol. Its IUPAC name is 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID10195168
Molecular FormulaC24H26FN5OS
Molecular Weight451.57 g/mol
Exact Mass451.18
IUPAC Name5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N(CCN)Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN5OS/c1-2-20(29(13-12-26)14-18-8-10-19(25)11-9-18)22-28-23-21(27-16-32-23)24(31)30(22)15-17-6-4-3-5-7-17/h3-11,16,20H,2,12-15,26H2,1H3
InChIKeyUQLLOLCQOMXQLP-UHFFFAOYSA-N
XLogP3.95
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one with MolForge

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Related Compounds

5-[1-[2-aminoethyl-[(6-chloro-3-pyridinyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10174019
3-benzyl-2-[1-[(4-fluorophenyl)methyl-[2-(methylamino)ethyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10238423
2-[1-[2-aminoethyl-[(6-methoxy-3-pyridinyl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10310448
6-[(4-fluorophenyl)methyl]-5-[1-(4-methylpiperazin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10126738
2-[1-[2-aminoethyl-[(2-methoxypyrimidin-5-yl)methyl]amino]propyl]-3-benzylfuro[2,3-d]pyrimidin-4-one
CID 10195109
2-[1-[3-aminopropyl-[(4-bromophenyl)methyl]amino]propyl]-3-benzyl-7-chloroquinazolin-4-one
CID 59205671
N-(2-aminoethyl)-N-[1-[1-benzyl-6-oxo-5-(trifluoromethyl)pyrimidin-2-yl]propyl]-4-fluorobenzamide
CID 10367699
6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10237948
N'-benzyl-N'-[1-(3-fluorophenyl)propyl]ethane-1,2-diamine
CID 106511255
3-benzyl-2-[1-[2-(methylamino)ethyl-[(2-oxo-1H-pyrimidin-5-yl)methyl]amino]propyl]furo[2,3-d]pyrimidin-4-one
CID 10310462
3-benzyl-2-[1-[2-(methylamino)ethyl-[(1-oxidopyridin-1-ium-4-yl)methyl]amino]propyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 10127484
N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]-4-methylbenzamide
CID 54756913

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 10195168) is 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CCC(c1nc2scnc2c(=O)n1Cc1ccccc1)N(CCN)Cc1ccc(F)cc1.
What is the InChIKey of 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is UQLLOLCQOMXQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5OS/c1-2-20(29(13-12-26)14-18-8-10-19(25)11-9-18)22-28-23-21(27-16-32-23)24(31)30(22)15-17-6-4-3-5-7-17/h3-11,16,20H,2,12-15,26H2,1H3.
What are the key properties of 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 451.57 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-aminoethyl-[(4-fluorophenyl)methyl]amino]propyl]-6-benzyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 10195168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).