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

C11H16N6OS — CID 122557693

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1nnc(N)s1
InChIInChI=1S/C11H16N6OS/c1-2-8-13-4-6-17(8)5-3-9(18)14-7-10-15-16-11(12)19-10/h4,6H,2-3,5,7H2,1H3,(H2,12,16)(H,14,18)
InChIKeyKBHRKDZYJATNFB-UHFFFAOYSA-N
MW280.36 g/mol
LogP0.59
Rot. Bonds6

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

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide (PubChem CID 122557693) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
PubChem CID122557693
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
SMILESCCc1nccn1CCC(=O)NCc1nnc(N)s1
InChIInChI=1S/C11H16N6OS/c1-2-8-13-4-6-17(8)5-3-9(18)14-7-10-15-16-11(12)19-10/h4,6H,2-3,5,7H2,1H3,(H2,12,16)(H,14,18)
InChIKeyKBHRKDZYJATNFB-UHFFFAOYSA-N
XLogP0.59
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-(2-ethylimidazol-1-yl)propanamide
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3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
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3-(2-ethylimidazol-1-yl)-N-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]propanamide
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3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide (CID 122557693) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide is CCc1nccn1CCC(=O)NCc1nnc(N)s1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide?
The InChIKey is KBHRKDZYJATNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-2-8-13-4-6-17(8)5-3-9(18)14-7-10-15-16-11(12)19-10/h4,6H,2-3,5,7H2,1H3,(H2,12,16)(H,14,18).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide has a molecular weight of 280.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide is sourced from PubChem (CID 122557693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).