3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65276551

IUPAC3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-9(2)8-15-6-4-5-7-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyCDEKQXKZIGHTQT-UHFFFAOYSA-N
MW240.38 g/mol
LogP2.00
Rot. Bonds5

About 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine

3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276551) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65276551
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC(C)CN2CCCC2)n1
InChIInChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-9(2)8-15-6-4-5-7-15/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyCDEKQXKZIGHTQT-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,3-N-dimethyl-5-N-[(2R)-1-morpholin-4-ylpropan-2-yl]-1,2,4-thiadiazole-3,5-diamine
CID 125446673
1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea
CID 154739295
4-chloro-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 83152888
N-[(2S)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
CID 99108548
N-ethyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 130855954
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268166
3-ethyl-N-hex-5-yn-3-yl-1,2,4-thiadiazol-5-amine
CID 115681041
ethyl 3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 133430418
2-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,3-thiazole-2,5-diamine
CID 102767910
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
3-methyl-5-(1-pyrrolidin-1-ylpropan-2-ylamino)-1,2-thiazole-4-carboxylic acid
CID 79402857

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine (CID 65276551) is 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NC(C)CN2CCCC2)n1.
What is the InChIKey of 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CDEKQXKZIGHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-10-13-11(16-14-10)12-9(2)8-15-6-4-5-7-15/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).