2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide

C11H18N4OS — CID 71913844

IUPAC2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(C2CC2)ns1
InChIInChI=1S/C11H18N4OS/c1-3-12-9(16)7-15(4-2)11-13-10(14-17-11)8-5-6-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyYIKJXHCETREBED-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.38
Rot. Bonds6

About 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide

2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide (PubChem CID 71913844) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
PubChem CID71913844
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)c1nc(C2CC2)ns1
InChIInChI=1S/C11H18N4OS/c1-3-12-9(16)7-15(4-2)11-13-10(14-17-11)8-5-6-8/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyYIKJXHCETREBED-UHFFFAOYSA-N
XLogP1.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
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-(2-(dimethylamino)ethyl)-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807138
N-isopentyl-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 71807130
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
(2R)-2-amino-1-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propan-1-one
CID 75496009
1-[(3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]pyrrolidin-1-yl]ethanone
CID 97092985
(3S)-4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-1,3-dimethylpiperazin-2-one
CID 99778221
(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
2,2,2-trifluoro-N-[2-methyl-3-[5-(2-methylpropylamino)-1,2,4-thiadiazol-3-yl]propyl]acetamide
CID 174154467
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetamide
CID 107305099

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide (CID 71913844) is 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)c1nc(C2CC2)ns1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide?
The InChIKey is YIKJXHCETREBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-12-9(16)7-15(4-2)11-13-10(14-17-11)8-5-6-8/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide?
2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide has a molecular weight of 254.36 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 71913844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).