6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C19H22ClN5OS — CID 10194350

IUPAC6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2sc(Cl)nc2c(=O)n1Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C19H22ClN5OS/c1-2-14(24-10-8-21-9-11-24)16-23-17-15(22-19(20)27-17)18(26)25(16)12-13-6-4-3-5-7-13/h3-7,14,21H,2,8-12H2,1H3
InChIKeyWWIZZHJWXLKDLW-UHFFFAOYSA-N
MW403.94 g/mol
LogP2.91
Rot. Bonds5

About 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one

6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 10194350) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID10194350
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC Name6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCCC(c1nc2sc(Cl)nc2c(=O)n1Cc1ccccc1)N1CCNCC1
InChIInChI=1S/C19H22ClN5OS/c1-2-14(24-10-8-21-9-11-24)16-23-17-15(22-19(20)27-17)18(26)25(16)12-13-6-4-3-5-7-13/h3-7,14,21H,2,8-12H2,1H3
InChIKeyWWIZZHJWXLKDLW-UHFFFAOYSA-N
XLogP2.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one with MolForge

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Related Compounds

3-benzyl-2-[1-(1,4-diazepan-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10172468
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
3-benzyl-6-fluoro-2-[1-(4-methylpiperazin-1-yl)propyl]thieno[2,3-d]pyrimidin-4-one
CID 10237664
2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
6-benzyl-5-[1-(3,4-dihydro-2H-quinoxalin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10237948
2-[4-[1-(3-benzyl-4-oxothieno[2,3-d]pyrimidin-2-yl)propyl]piperazin-1-yl]acetic acid
CID 10216586
6-[(4-fluorophenyl)methyl]-5-[1-(4-methylpiperazin-1-yl)propyl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 10126738
3-benzyl-2-[1-(2,7-diazaspiro[4.4]nonan-2-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 10126595
3-benzyl-2-[1-[3-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-one
CID 10238579
5-benzyl-3-fluoro-6-[1-(4-methylpiperazin-1-yl)propyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 10150545
2-[1-(4-methylpiperazin-1-yl)propyl]-3-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 10126660
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 10194350) is 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one is CCC(c1nc2sc(Cl)nc2c(=O)n1Cc1ccccc1)N1CCNCC1.
What is the InChIKey of 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is WWIZZHJWXLKDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5OS/c1-2-14(24-10-8-21-9-11-24)16-23-17-15(22-19(20)27-17)18(26)25(16)12-13-6-4-3-5-7-13/h3-7,14,21H,2,8-12H2,1H3.
What are the key properties of 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 403.94 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-chloro-5-(1-piperazin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 10194350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).