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

C19H22N4OS — CID 2572164

IUPAC7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1C
InChIInChI=1S/C19H22N4OS/c1-14-4-3-5-17(15(14)2)22-8-6-21(7-9-22)13-16-12-18(24)23-10-11-25-19(23)20-16/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyGCMJYULNEDQIGM-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.70
Rot. Bonds3

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

7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 2572164) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID2572164
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1C
InChIInChI=1S/C19H22N4OS/c1-14-4-3-5-17(15(14)2)22-8-6-21(7-9-22)13-16-12-18(24)23-10-11-25-19(23)20-16/h3-5,10-12H,6-9,13H2,1-2H3
InChIKeyGCMJYULNEDQIGM-UHFFFAOYSA-N
XLogP2.70
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-(1,2,3,4-tetrahydroquinoline-1-carbonyl)-5H-thiazolo[3,2-a]pyrimidin-5-one
CID 3406118
1-(3,4-dihydroquinolin-1(2H)-yl)-2-((4-hydroxy-6-methylpyrimidin-2-yl)thio)ethanone
CID 135408403
7-(3,4-dihydro-2H-quinolin-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4233844
3-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10665353
7-[[Ethyl(naphthalen-1-yl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2368692
7-[[4-(5-Chloro-2-methylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2498970
2-[methyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 2523532
7-(2,3-Dihydroindol-1-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2997591
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4188760
3,7-Dimethyl-6-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-thiazolo[3,2-a]pyrimidin-5-one
CID 15990291
7-methyl-6-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 23004564
1-(3,4-dihydroquinolin-1(2H)-yl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]ethanone
CID 135413054

Frequently Asked Questions

What is the IUPAC name of 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 2572164) is 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cccc(N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1C.
What is the InChIKey of 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GCMJYULNEDQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-14-4-3-5-17(15(14)2)22-8-6-21(7-9-22)13-16-12-18(24)23-10-11-25-19(23)20-16/h3-5,10-12H,6-9,13H2,1-2H3.
What are the key properties of 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 354.48 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 2572164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).