(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C14H18N4OS — CID 95762087

IUPAC(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)n1ccnc1
InChIInChI=1S/C14H18N4OS/c1-11(18-7-4-15-10-18)14(19)17-6-2-3-12(9-17)13-16-5-8-20-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3/t11-,12+/m1/s1
InChIKeyYRWAUQBULGADQA-NEPJUHHUSA-N
MW290.39 g/mol
LogP2.31
Rot. Bonds3

About (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95762087) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95762087
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)n1ccnc1
InChIInChI=1S/C14H18N4OS/c1-11(18-7-4-15-10-18)14(19)17-6-2-3-12(9-17)13-16-5-8-20-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3/t11-,12+/m1/s1
InChIKeyYRWAUQBULGADQA-NEPJUHHUSA-N
XLogP2.31
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(2S)-2-imidazol-1-yl-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777650
(2S)-2-imidazol-1-yl-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777649
(2R)-1-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95767904
(2R)-1-[(3S)-3-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylpropan-1-one
CID 95777810
(2R)-2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 119873434
3-(2-propan-2-ylimidazol-1-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124945186
(2R)-2-methyl-3-phenylmethoxy-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95762121
2-imidazol-1-yl-1-[3-[(4-methylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 49409732
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
(4-methylthiophen-2-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125024129
(3-methylthiophen-2-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 127247570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95762087) is (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)n1ccnc1.
What is the InChIKey of (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YRWAUQBULGADQA-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11(18-7-4-15-10-18)14(19)17-6-2-3-12(9-17)13-16-5-8-20-13/h4-5,7-8,10-12H,2-3,6,9H2,1H3/t11-,12+/m1/s1.
What are the key properties of (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
(2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 290.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-imidazol-1-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95762087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).