7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C24H26N6O2S — CID 46581236

IUPAC7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C24H26N6O2S/c1-3-21-20(15-25-30(21)19-6-4-17(2)5-7-19)23(32)28-10-8-27(9-11-28)16-18-14-22(31)29-12-13-33-24(29)26-18/h4-7,12-15H,3,8-11,16H2,1-2H3
InChIKeyBVGJRHAGCOMUEJ-UHFFFAOYSA-N
MW462.58 g/mol
LogP2.77
Rot. Bonds5

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

7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46581236) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46581236
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccc(C)cc1
InChIInChI=1S/C24H26N6O2S/c1-3-21-20(15-25-30(21)19-6-4-17(2)5-7-19)23(32)28-10-8-27(9-11-28)16-18-14-22(31)29-12-13-33-24(29)26-18/h4-7,12-15H,3,8-11,16H2,1-2H3
InChIKeyBVGJRHAGCOMUEJ-UHFFFAOYSA-N
XLogP2.77
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-[[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46666805
7-[[4-(2-chloro-5-methylsulfanylbenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920574
7-[[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42920591
7-[[4-(4-fluoro-2-iodobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685953
7-[[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51257557
7-[[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 46656410
7-[[4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55685909
7-[[4-(1,2-dihydroacenaphthylene-5-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42925929
7-[[4-(2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55789413
7-[[4-[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51511182
4-[4-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]piperazine-1-carbonyl]benzonitrile
CID 46656447
7-[[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 55440289

Frequently Asked Questions

What is the IUPAC name of 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46581236) is 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CCc1c(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cnn1-c1ccc(C)cc1.
What is the InChIKey of 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is BVGJRHAGCOMUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-3-21-20(15-25-30(21)19-6-4-17(2)5-7-19)23(32)28-10-8-27(9-11-28)16-18-14-22(31)29-12-13-33-24(29)26-18/h4-7,12-15H,3,8-11,16H2,1-2H3.
What are the key properties of 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 462.58 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46581236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).