7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H21N5OS — CID 133467676

IUPAC7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc2nccc(N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c2c1
InChIInChI=1S/C21H21N5OS/c1-15-2-3-18-17(12-15)19(4-5-22-18)25-8-6-24(7-9-25)14-16-13-20(27)26-10-11-28-21(26)23-16/h2-5,10-13H,6-9,14H2,1H3
InChIKeyAYDPMVQRGJEVMM-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.93
Rot. Bonds3

About 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 133467676) has the molecular formula C21H21N5OS and a molecular weight of 391.50 g/mol. Its IUPAC name is 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID133467676
Molecular FormulaC21H21N5OS
Molecular Weight391.50 g/mol
Exact Mass391.15
IUPAC Name7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1ccc2nccc(N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c2c1
InChIInChI=1S/C21H21N5OS/c1-15-2-3-18-17(12-15)19(4-5-22-18)25-8-6-24(7-9-25)14-16-13-20(27)26-10-11-28-21(26)23-16/h2-5,10-13H,6-9,14H2,1H3
InChIKeyAYDPMVQRGJEVMM-UHFFFAOYSA-N
XLogP2.93
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51245920
7-[[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42939448
7-[[4-(3-fluoro-2-nitrophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60563539
7-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 112798840
7-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464319
7-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 18137944
7-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 6464868
7-[[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55433843
7-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920591
N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133467701
2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 133467687
4-(azepan-1-yl)-6-methylquinoline
CID 133466822

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 133467676) is 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1ccc2nccc(N3CCN(Cc4cc(=O)n5ccsc5n4)CC3)c2c1.
What is the InChIKey of 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is AYDPMVQRGJEVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5OS/c1-15-2-3-18-17(12-15)19(4-5-22-18)25-8-6-24(7-9-25)14-16-13-20(27)26-10-11-28-21(26)23-16/h2-5,10-13H,6-9,14H2,1H3.
What are the key properties of 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 391.50 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(6-methylquinolin-4-yl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 133467676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).