N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine

C9H16N4S — CID 62177342

IUPACN-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCCC1
InChIInChI=1S/C9H16N4S/c1-2-10-9-8(11-12-14-9)7-13-5-3-4-6-13/h10H,2-7H2,1H3
InChIKeyPWSZPEFOJZQZKZ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.57
Rot. Bonds4

About N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine

N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine (PubChem CID 62177342) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine
PubChem CID62177342
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine
SMILESCCNc1snnc1CN1CCCC1
InChIInChI=1S/C9H16N4S/c1-2-10-9-8(11-12-14-9)7-13-5-3-4-6-13/h10H,2-7H2,1H3
InChIKeyPWSZPEFOJZQZKZ-UHFFFAOYSA-N
XLogP1.57
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 55046267
N-ethyl-4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046269
N-methyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 55046411
N-ethyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182105
N-propyl-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62182106
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 62182981
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62182982
N-methyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183147
N-ethyl-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183327
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183486
N-ethyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]thiadiazol-5-amine
CID 62183660
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62183661

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine?
The IUPAC name of N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine (CID 62177342) is N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine?
The canonical SMILES for N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine is CCNc1snnc1CN1CCCC1.
What is the InChIKey of N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine?
The InChIKey is PWSZPEFOJZQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-10-9-8(11-12-14-9)7-13-5-3-4-6-13/h10H,2-7H2,1H3.
What are the key properties of N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine?
N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(pyrrolidin-1-ylmethyl)thiadiazol-5-amine is sourced from PubChem (CID 62177342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).