6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C15H18N4O3S — CID 46582460

IUPAC6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C15H18N4O3S/c1-10(2)12(20)17-3-5-18(6-4-17)13(21)11-9-16-15-19(14(11)22)7-8-23-15/h7-10H,3-6H2,1-2H3
InChIKeyGXVJKSDMVKMZGD-UHFFFAOYSA-N
MW334.40 g/mol
LogP0.70
Rot. Bonds2

About 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 46582460) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID46582460
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)C(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C15H18N4O3S/c1-10(2)12(20)17-3-5-18(6-4-17)13(21)11-9-16-15-19(14(11)22)7-8-23-15/h7-10H,3-6H2,1-2H3
InChIKeyGXVJKSDMVKMZGD-UHFFFAOYSA-N
XLogP0.70
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
3-Methyl-6-(4-methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 5183768
2-[4-(2-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazin-1-yl]acetonitrile
CID 132304172
6-[4-(2,2-Difluoroethyl)piperazine-1-carbonyl]-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 49071085
6-[4-(2,2,2-Trifluoroethyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51305845
6-(2-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591997
6-(3,5-Dimethylpiperidine-1-carbonyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4096358
ethyl 4-(5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 4105003
6-(3,5-Dimethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4293960
3-Methyl-6-(piperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4321572
7-[[4-(5-Oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 16348323
6-(4-Ethylpiperazine-1-carbonyl)-5H-[1,3]thiazolo[3,2-A]pyrimidin-5-one
CID 17248300

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 46582460) is 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)C(=O)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is GXVJKSDMVKMZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-10(2)12(20)17-3-5-18(6-4-17)13(21)11-9-16-15-19(14(11)22)7-8-23-15/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 334.40 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 46582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).