(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

C18H20N4O2S2 — CID 126427962

IUPAC(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cnc2sccn2c1=O)N1CCCC[C@@H]1CCc1cccs1
InChIInChI=1S/C18H20N4O2S2/c23-16-15(12-19-18-22(16)9-11-26-18)20-17(24)21-8-2-1-4-13(21)6-7-14-5-3-10-25-14/h3,5,9-13H,1-2,4,6-8H2,(H,20,24)/t13-/m1/s1
InChIKeyRNLQQQKVENAWFR-CYBMUJFWSA-N
MW388.52 g/mol
LogP3.84
Rot. Bonds4

About (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide

(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (PubChem CID 126427962) has the molecular formula C18H20N4O2S2 and a molecular weight of 388.52 g/mol. Its IUPAC name is (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
PubChem CID126427962
Molecular FormulaC18H20N4O2S2
Molecular Weight388.52 g/mol
Exact Mass388.10
IUPAC Name(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
SMILESO=C(Nc1cnc2sccn2c1=O)N1CCCC[C@@H]1CCc1cccs1
InChIInChI=1S/C18H20N4O2S2/c23-16-15(12-19-18-22(16)9-11-26-18)20-17(24)21-8-2-1-4-13(21)6-7-14-5-3-10-25-14/h3,5,9-13H,1-2,4,6-8H2,(H,20,24)/t13-/m1/s1
InChIKeyRNLQQQKVENAWFR-CYBMUJFWSA-N
XLogP3.84
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 118766404
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561
(2R)-N-(2-methylsulfonylethyl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 126435167
(2R)-2-(2-hydroxyethyl)-N-(3-thiophen-2-ylpropyl)piperidine-1-carboxamide
CID 97335931
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
5-oxo-N-(2-thiophen-2-ylethyl)-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46556227
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
6-(2-ethylpiperidine-1-carbonyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51254590
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
3-(1-methylpyrazol-4-yl)-1-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]propan-1-one
CID 70733559

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide (CID 126427962) is (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is O=C(Nc1cnc2sccn2c1=O)N1CCCC[C@@H]1CCc1cccs1.
What is the InChIKey of (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
The InChIKey is RNLQQQKVENAWFR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N4O2S2/c23-16-15(12-19-18-22(16)9-11-26-18)20-17(24)21-8-2-1-4-13(21)6-7-14-5-3-10-25-14/h3,5,9-13H,1-2,4,6-8H2,(H,20,24)/t13-/m1/s1.
What are the key properties of (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide?
(2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-2-(2-thiophen-2-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126427962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).