[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C17H19N5OS — CID 95767978

IUPAC[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCCc1csc([C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)n1
InChIInChI=1S/C17H19N5OS/c1-2-13-11-24-15(19-13)12-5-3-7-21(9-12)16(23)14-10-22-8-4-6-18-17(22)20-14/h4,6,8,10-12H,2-3,5,7,9H2,1H3/t12-/m1/s1
InChIKeyMPYKAVZICKPCFJ-GFCCVEGCSA-N
MW341.44 g/mol
LogP2.77
Rot. Bonds3

About [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 95767978) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID95767978
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESCCc1csc([C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)n1
InChIInChI=1S/C17H19N5OS/c1-2-13-11-24-15(19-13)12-5-3-7-21(9-12)16(23)14-10-22-8-4-6-18-17(22)20-14/h4,6,8,10-12H,2-3,5,7,9H2,1H3/t12-/m1/s1
InChIKeyMPYKAVZICKPCFJ-GFCCVEGCSA-N
XLogP2.77
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95767942
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95768063
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191
1-[2-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95768027
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 95767978) is [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is CCc1csc([C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)n1.
What is the InChIKey of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is MPYKAVZICKPCFJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-2-13-11-24-15(19-13)12-5-3-7-21(9-12)16(23)14-10-22-8-4-6-18-17(22)20-14/h4,6,8,10-12H,2-3,5,7,9H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 341.44 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 95767978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).