3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide

C18H28N6OS — CID 131932994

IUPAC3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NCC1CCN(Cc2nnc(C)s2)CC1
InChIInChI=1S/C18H28N6OS/c1-3-16-19-7-11-24(16)10-6-17(25)20-12-15-4-8-23(9-5-15)13-18-22-21-14(2)26-18/h7,11,15H,3-6,8-10,12-13H2,1-2H3,(H,20,25)
InChIKeyCJWUIOFCWCNKHB-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.02
Rot. Bonds8

About 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide

3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide (PubChem CID 131932994) has the molecular formula C18H28N6OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
PubChem CID131932994
Molecular FormulaC18H28N6OS
Molecular Weight376.53 g/mol
Exact Mass376.20
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
SMILESCCc1nccn1CCC(=O)NCC1CCN(Cc2nnc(C)s2)CC1
InChIInChI=1S/C18H28N6OS/c1-3-16-19-7-11-24(16)10-6-17(25)20-12-15-4-8-23(9-5-15)13-18-22-21-14(2)26-18/h7,11,15H,3-6,8-10,12-13H2,1-2H3,(H,20,25)
InChIKeyCJWUIOFCWCNKHB-UHFFFAOYSA-N
XLogP2.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131892617
4-[4-[[3-(2-ethylimidazol-1-yl)propanoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 131924590
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
N-[[1-[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]piperidin-3-yl]methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 131921194
3-(2-ethylimidazol-1-yl)-N-[[4-[1-methyl-4-(3-methyl-4-pyridinyl)pyrazol-3-yl]cyclohexyl]methyl]propanamide
CID 98132846
2-[(4-ethylazepan-1-yl)methyl]-5-methyl-1,3,4-thiadiazole
CID 131928480
3-(2-ethylimidazol-1-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 131900320
3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 131913488
3-(2-ethylimidazol-1-yl)-N-[[(2S)-8-propan-2-yl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
CID 125161054
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
1-[(4aR,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydropyrido[3,2-b]azepin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110124689
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide (CID 131932994) is 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide is CCc1nccn1CCC(=O)NCC1CCN(Cc2nnc(C)s2)CC1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
The InChIKey is CJWUIOFCWCNKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6OS/c1-3-16-19-7-11-24(16)10-6-17(25)20-12-15-4-8-23(9-5-15)13-18-22-21-14(2)26-18/h7,11,15H,3-6,8-10,12-13H2,1-2H3,(H,20,25).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide has a molecular weight of 376.53 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 131932994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).