[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

C14H18N4OS — CID 95341014

IUPAC[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCc1nccn1[C@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C14H18N4OS/c1-2-13-15-5-7-18(13)11-4-3-6-17(8-11)14(19)12-9-20-10-16-12/h5,7,9-11H,2-4,6,8H2,1H3/t11-/m0/s1
InChIKeyCBFMKFZHDRZCDX-NSHDSACASA-N
MW290.39 g/mol
LogP2.38
Rot. Bonds3

About [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95341014) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95341014
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCCc1nccn1[C@H]1CCCN(C(=O)c2cscn2)C1
InChIInChI=1S/C14H18N4OS/c1-2-13-15-5-7-18(13)11-4-3-6-17(8-11)14(19)12-9-20-10-16-12/h5,7,9-11H,2-4,6,8H2,1H3/t11-/m0/s1
InChIKeyCBFMKFZHDRZCDX-NSHDSACASA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 95342023
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 95343440
2-amino-1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119881391
(1-aminocyclopropyl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 119881342
(3-pyrrolidin-1-ylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63049254
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779723
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 56779726
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704387
1-[(3R)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-propylsulfonylethanone
CID 95341954
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(1,3-thiazol-4-yl)methanone
CID 63048030
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 56779725
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 95606545

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95341014) is [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is CCc1nccn1[C@H]1CCCN(C(=O)c2cscn2)C1.
What is the InChIKey of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is CBFMKFZHDRZCDX-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4OS/c1-2-13-15-5-7-18(13)11-4-3-6-17(8-11)14(19)12-9-20-10-16-12/h5,7,9-11H,2-4,6,8H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 290.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95341014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).