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

C9H16N4OS — CID 65271224

IUPAC2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(CC)ns1
InChIInChI=1S/C9H16N4OS/c1-3-5-10-8(14)6-11-9-12-7(4-2)13-15-9/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeySDIJPZRWHAAPIJ-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.04
Rot. Bonds6

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

2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide (PubChem CID 65271224) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide
PubChem CID65271224
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CNc1nc(CC)ns1
InChIInChI=1S/C9H16N4OS/c1-3-5-10-8(14)6-11-9-12-7(4-2)13-15-9/h3-6H2,1-2H3,(H,10,14)(H,11,12,13)
InChIKeySDIJPZRWHAAPIJ-UHFFFAOYSA-N
XLogP1.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
CID 71913844
1-[3-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 71918740
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
CID 71925917
3-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-methylpropanamide
CID 71988596
2-(diethylamino)-N-(3-methyl-1,2,4-thiadiazol-5-yl)acetamide
CID 71989635
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-Methyl-3-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-2-one
CID 91643484
(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-N-propan-2-ylpropanamide
CID 124596954
N,N-diethyl-2-[4-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidin-1-yl]acetamide
CID 125423902
2-[(3-Ethyl-1,2,4-thiadiazol-5-yl)amino]-1-(1,2-oxazolidin-2-yl)ethanone
CID 126828756

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide (CID 65271224) is 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide is CCCNC(=O)CNc1nc(CC)ns1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide?
The InChIKey is SDIJPZRWHAAPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-3-5-10-8(14)6-11-9-12-7(4-2)13-15-9/h3-6H2,1-2H3,(H,10,14)(H,11,12,13).
What are the key properties of 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide?
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide has a molecular weight of 228.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide is sourced from PubChem (CID 65271224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).