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

C12H14N4O2S — CID 4293964

IUPAC6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C12H14N4O2S/c1-14-2-4-15(5-3-14)10(17)9-8-13-12-16(11(9)18)6-7-19-12/h6-8H,2-5H2,1H3
InChIKeyODKKORHKVJRUPW-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.14
Rot. Bonds1

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

6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 4293964) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID4293964
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCN1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C12H14N4O2S/c1-14-2-4-15(5-3-14)10(17)9-8-13-12-16(11(9)18)6-7-19-12/h6-8H,2-5H2,1H3
InChIKeyODKKORHKVJRUPW-UHFFFAOYSA-N
XLogP0.14
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-(4-morpholinylcarbonyl)-
CID 4293962
6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
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-(Pyrrolidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591995
6-(2-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591997
ethyl 4-(5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazine-1-carboxylate
CID 4105003
5-oxo-N-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4161274
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 4293964) is 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CN1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ODKKORHKVJRUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-14-2-4-15(5-3-14)10(17)9-8-13-12-16(11(9)18)6-7-19-12/h6-8H,2-5H2,1H3.
What are the key properties of 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 278.34 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 4293964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).