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

C9H16N4OS — CID 65276938

IUPACN-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1nc(CC)ns1
InChIInChI=1S/C9H16N4OS/c1-4-7-12-9(15-13-7)11-6(3)8(14)10-5-2/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13)
InChIKeyNRZRXDSEMWZYHC-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.04
Rot. Bonds5

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

N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide (PubChem CID 65276938) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
PubChem CID65276938
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC NameN-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide
SMILESCCNC(=O)C(C)Nc1nc(CC)ns1
InChIInChI=1S/C9H16N4OS/c1-4-7-12-9(15-13-7)11-6(3)8(14)10-5-2/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13)
InChIKeyNRZRXDSEMWZYHC-UHFFFAOYSA-N
XLogP1.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 122049343
ethyl 2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoate
CID 65276553
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
4-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 65270819
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
3-methoxy-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 81078153
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-4-carboxylic acid
CID 113395760
(2S,3S)-3-methyl-2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]pentanoic acid
CID 122050568
1-N,1-N-diethyl-2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65276801
2-[(5-bromo-1,3-benzothiazol-2-yl)amino]-N-ethylpropanamide
CID 54959098
2-[(4-bromo-1,3-thiazol-2-yl)amino]-N-propylpropanamide
CID 79399138

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The IUPAC name of N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide (CID 65276938) is N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide.
What is the SMILES notation for N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The canonical SMILES for N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide is CCNC(=O)C(C)Nc1nc(CC)ns1.
What is the InChIKey of N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
The InChIKey is NRZRXDSEMWZYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-4-7-12-9(15-13-7)11-6(3)8(14)10-5-2/h6H,4-5H2,1-3H3,(H,10,14)(H,11,12,13).
What are the key properties of N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide?
N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide has a molecular weight of 228.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]propanamide is sourced from PubChem (CID 65276938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).