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

C14H18N4O2S — CID 56811669

IUPAC6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H18N4O2S/c1-10(2)16-3-5-17(6-4-16)12(19)11-9-15-14-18(13(11)20)7-8-21-14/h7-10H,3-6H2,1-2H3
InChIKeyOTNDJNPHDOWBKI-UHFFFAOYSA-N
MW306.39 g/mol
LogP0.92
Rot. Bonds2

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

6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 56811669) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID56811669
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCC(C)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1
InChIInChI=1S/C14H18N4O2S/c1-10(2)16-3-5-17(6-4-16)12(19)11-9-15-14-18(13(11)20)7-8-21-14/h7-10H,3-6H2,1-2H3
InChIKeyOTNDJNPHDOWBKI-UHFFFAOYSA-N
XLogP0.92
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-tert-butyl-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 45488375
6-(4-Methylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 3591999
6-(2-methylpiperidine-1-carbonyl)-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one
CID 4397080
5-oxo-N,N-di(propan-2-yl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4598504
2-[4-(2-Methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonyl)piperazin-1-yl]acetonitrile
CID 132304172
5-oxo-N-(propan-2-yl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4393836
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
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide;hydrochloride
CID 120811672
5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 120811673
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

Frequently Asked Questions

What is the IUPAC name of 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 56811669) is 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is CC(C)N1CCN(C(=O)c2cnc3sccn3c2=O)CC1.
What is the InChIKey of 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is OTNDJNPHDOWBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-10(2)16-3-5-17(6-4-16)12(19)11-9-15-14-18(13(11)20)7-8-21-14/h7-10H,3-6H2,1-2H3.
What are the key properties of 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 306.39 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propan-2-ylpiperazine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 56811669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).