3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine

C11H20N4S — CID 65268166

IUPAC3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C11H20N4S/c1-9(8-15-5-3-4-6-15)7-12-11-13-10(2)14-16-11/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyWZLIZERTGXERGD-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.99
Rot. Bonds5

About 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine

3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268166) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268166
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC(C)CN2CCCC2)n1
InChIInChI=1S/C11H20N4S/c1-9(8-15-5-3-4-6-15)7-12-11-13-10(2)14-16-11/h9H,3-8H2,1-2H3,(H,12,13,14)
InChIKeyWZLIZERTGXERGD-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271166
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
3-tert-butyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052698
N',N'-diethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304680
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304734

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268166) is 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC(C)CN2CCCC2)n1.
What is the InChIKey of 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is WZLIZERTGXERGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(8-15-5-3-4-6-15)7-12-11-13-10(2)14-16-11/h9H,3-8H2,1-2H3,(H,12,13,14).
What are the key properties of 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine?
3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 240.38 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).