3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide

C14H20N4OS — CID 131913488

IUPAC3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCc1csc(CNC(=O)CCn2ccnc2CC)n1
InChIInChI=1S/C14H20N4OS/c1-3-11-10-20-14(17-11)9-16-13(19)5-7-18-8-6-15-12(18)4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,19)
InChIKeyBSUOEUWTTKACGN-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.17
Rot. Bonds7

About 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide

3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide (PubChem CID 131913488) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
PubChem CID131913488
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
SMILESCCc1csc(CNC(=O)CCn2ccnc2CC)n1
InChIInChI=1S/C14H20N4OS/c1-3-11-10-20-14(17-11)9-16-13(19)5-7-18-8-6-15-12(18)4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,19)
InChIKeyBSUOEUWTTKACGN-UHFFFAOYSA-N
XLogP2.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
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CID 131935821
3-(2-ethylimidazol-1-yl)-N-(quinolin-2-ylmethyl)propanamide
CID 131889023
3-(2-ethylimidazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 131926060
3-(2-ethylimidazol-1-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]propanamide
CID 131900320
3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
CID 62325743
3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
CID 62325908
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 63294452
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
CID 131937873
(2R)-2-[3-(2-ethylimidazol-1-yl)propanoylamino]butanoic acid
CID 126445443
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131919090

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide (CID 131913488) is 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide is CCc1csc(CNC(=O)CCn2ccnc2CC)n1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
The InChIKey is BSUOEUWTTKACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-11-10-20-14(17-11)9-16-13(19)5-7-18-8-6-15-12(18)4-2/h6,8,10H,3-5,7,9H2,1-2H3,(H,16,19).
What are the key properties of 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide?
3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide has a molecular weight of 292.41 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide is sourced from PubChem (CID 131913488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).