[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone

C18H26N4OS — CID 97118215

IUPAC[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1
InChIInChI=1S/C18H26N4OS/c1-3-6-17-20-16(13-24-17)18(23)22-10-5-4-7-15(22)8-11-21-12-9-19-14(21)2/h9,12-13,15H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyNYTQVMZQYBKFEX-HNNXBMFYSA-N
MW346.50 g/mol
LogP3.69
Rot. Bonds6

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

[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 97118215) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID97118215
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1
InChIInChI=1S/C18H26N4OS/c1-3-6-17-20-16(13-24-17)18(23)22-10-5-4-7-15(22)8-11-21-12-9-19-14(21)2/h9,12-13,15H,3-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyNYTQVMZQYBKFEX-HNNXBMFYSA-N
XLogP3.69
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 70750085
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 86285447
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869
[2-(aminomethyl)-1,3-thiazol-4-yl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 66378378
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(2-ethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120624999
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277148
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97273803
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone (CID 97118215) is [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)cs1.
What is the InChIKey of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is NYTQVMZQYBKFEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-3-6-17-20-16(13-24-17)18(23)22-10-5-4-7-15(22)8-11-21-12-9-19-14(21)2/h9,12-13,15H,3-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 346.50 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 97118215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).