N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine

C9H16N4S — CID 65208041

IUPACN-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCCN(c1nnc(C)s1)C1CCNC1
InChIInChI=1S/C9H16N4S/c1-3-13(8-4-5-10-6-8)9-12-11-7(2)14-9/h8,10H,3-6H2,1-2H3
InChIKeyKKBOUHRVKLIGHT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.03
Rot. Bonds3

About N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine

N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine (PubChem CID 65208041) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
PubChem CID65208041
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine
SMILESCCN(c1nnc(C)s1)C1CCNC1
InChIInChI=1S/C9H16N4S/c1-3-13(8-4-5-10-6-8)9-12-11-7(2)14-9/h8,10H,3-6H2,1-2H3
InChIKeyKKBOUHRVKLIGHT-UHFFFAOYSA-N
XLogP1.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

rel-(3R,4S)-4-isopropyl-1-(5-propyl-1,3,4-thiadiazol-2-yl)-3-pyrrolidinamine hydrochloride
CID 72922813
N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 131890377
N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 164633838
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80606785
4-Methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-amine
CID 103577437
N-[(1-methylpyrrolidin-2-yl)methyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106027097
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106618951
N-ethyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106619336
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106619723
N-butyl-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620374
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 106620677
N-(1-pyrrolidin-1-ylpropan-2-yl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 113586123

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine (CID 65208041) is N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine is CCN(c1nnc(C)s1)C1CCNC1.
What is the InChIKey of N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is KKBOUHRVKLIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-3-13(8-4-5-10-6-8)9-12-11-7(2)14-9/h8,10H,3-6H2,1-2H3.
What are the key properties of N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine?
N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-pyrrolidin-3-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).