5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

C18H19N3O2S2 — CID 97125561

IUPAC5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESO=C(c1cc(=O)nc2sccn12)N1CCCC[C@@H]1CCc1cccs1
InChIInChI=1S/C18H19N3O2S2/c22-16-12-15(21-9-11-25-18(21)19-16)17(23)20-8-2-1-4-13(20)6-7-14-5-3-10-24-14/h3,5,9-13H,1-2,4,6-8H2/t13-/m1/s1
InChIKeyVAXIKJFGLYSPIW-CYBMUJFWSA-N
MW373.50 g/mol
LogP3.44
Rot. Bonds4

About 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one

5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (PubChem CID 97125561) has the molecular formula C18H19N3O2S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
PubChem CID97125561
Molecular FormulaC18H19N3O2S2
Molecular Weight373.50 g/mol
Exact Mass373.09
IUPAC Name5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
SMILESO=C(c1cc(=O)nc2sccn12)N1CCCC[C@@H]1CCc1cccs1
InChIInChI=1S/C18H19N3O2S2/c22-16-12-15(21-9-11-25-18(21)19-16)17(23)20-8-2-1-4-13(20)6-7-14-5-3-10-24-14/h3,5,9-13H,1-2,4,6-8H2/t13-/m1/s1
InChIKeyVAXIKJFGLYSPIW-CYBMUJFWSA-N
XLogP3.44
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one with MolForge

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Related Compounds

(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126427962
N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 118766404
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167
5-[3-oxo-3-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propyl]-1,2-oxazol-3-one
CID 70743338

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The IUPAC name of 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one (CID 97125561) is 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one.
What is the SMILES notation for 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The canonical SMILES for 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is O=C(c1cc(=O)nc2sccn12)N1CCCC[C@@H]1CCc1cccs1.
What is the InChIKey of 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
The InChIKey is VAXIKJFGLYSPIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19N3O2S2/c22-16-12-15(21-9-11-25-18(21)19-16)17(23)20-8-2-1-4-13(20)6-7-14-5-3-10-24-14/h3,5,9-13H,1-2,4,6-8H2/t13-/m1/s1.
What are the key properties of 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one?
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one has a molecular weight of 373.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one is sourced from PubChem (CID 97125561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).