3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

C17H25N5OS — CID 71915673

IUPAC3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(CCNC(=O)N2CCCC(Cc3nccn3C)C2)cs1
InChIInChI=1S/C17H25N5OS/c1-13-20-15(12-24-13)5-6-19-17(23)22-8-3-4-14(11-22)10-16-18-7-9-21(16)2/h7,9,12,14H,3-6,8,10-11H2,1-2H3,(H,19,23)
InChIKeyHSIYFJKMHYQJSR-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.39
Rot. Bonds5

About 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 71915673) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID71915673
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(CCNC(=O)N2CCCC(Cc3nccn3C)C2)cs1
InChIInChI=1S/C17H25N5OS/c1-13-20-15(12-24-13)5-6-19-17(23)22-8-3-4-14(11-22)10-16-18-7-9-21(16)2/h7,9,12,14H,3-6,8,10-11H2,1-2H3,(H,19,23)
InChIKeyHSIYFJKMHYQJSR-UHFFFAOYSA-N
XLogP2.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-2-oxoethyl)-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 71865717
(3R)-3-[(1-methylimidazol-2-yl)methyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 97099007
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47071734
(2R)-2-ethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]morpholine-4-carboxamide
CID 97097729
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 139008515
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70772543
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110113166
3-[1-[(1-methylimidazol-2-yl)methylcarbamoyl]piperidin-3-yl]propanoic acid
CID 63294450
(3R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97074016
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075864

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (CID 71915673) is 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is Cc1nc(CCNC(=O)N2CCCC(Cc3nccn3C)C2)cs1.
What is the InChIKey of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is HSIYFJKMHYQJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-13-20-15(12-24-13)5-6-19-17(23)22-8-3-4-14(11-22)10-16-18-7-9-21(16)2/h7,9,12,14H,3-6,8,10-11H2,1-2H3,(H,19,23).
What are the key properties of 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylimidazol-2-yl)methyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71915673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).