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

C19H24N6O2S — CID 42928486

IUPAC7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(C)c(C)c1CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H24N6O2S/c1-13-16(14(2)22(3)21-13)11-17(26)24-6-4-23(5-7-24)12-15-10-18(27)25-8-9-28-19(25)20-15/h8-10H,4-7,11-12H2,1-3H3
InChIKeySCCQLXJMQUGTIL-UHFFFAOYSA-N
MW400.51 g/mol
LogP0.99
Rot. Bonds4

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

7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 42928486) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID42928486
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1nn(C)c(C)c1CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
InChIInChI=1S/C19H24N6O2S/c1-13-16(14(2)22(3)21-13)11-17(26)24-6-4-23(5-7-24)12-15-10-18(27)25-8-9-28-19(25)20-15/h8-10H,4-7,11-12H2,1-3H3
InChIKeySCCQLXJMQUGTIL-UHFFFAOYSA-N
XLogP0.99
TPSA75.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 42928486) is 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1nn(C)c(C)c1CC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1.
What is the InChIKey of 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is SCCQLXJMQUGTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-13-16(14(2)22(3)21-13)11-17(26)24-6-4-23(5-7-24)12-15-10-18(27)25-8-9-28-19(25)20-15/h8-10H,4-7,11-12H2,1-3H3.
What are the key properties of 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 400.51 g/mol, XLogP of 0.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 42928486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).