3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine

C10H18N4S — CID 104973321

IUPAC3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC[C@@H]2CCCN2)n1
InChIInChI=1S/C10H18N4S/c1-2-9-13-10(15-14-9)12-7-5-8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyITQMFPJFESETAR-QMMMGPOBSA-N
MW226.35 g/mol
LogP1.65
Rot. Bonds5

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

3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 104973321) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID104973321
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCC[C@@H]2CCCN2)n1
InChIInChI=1S/C10H18N4S/c1-2-9-13-10(15-14-9)12-7-5-8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H,12,13,14)/t8-/m0/s1
InChIKeyITQMFPJFESETAR-QMMMGPOBSA-N
XLogP1.65
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
CID 65276112
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 104973071
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 103739545
2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879297
6-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrimidin-4-amine
CID 104973152
N-[2-(4-fluorophenyl)-2-methylpropyl]-3-(2-piperidin-2-ylethyl)-1,2,4-thiadiazol-5-amine
CID 70974816
N-[2-(oxolan-2-yl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65276420
3,6-dimethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrazin-2-amine
CID 104973149

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine (CID 104973321) is 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCC[C@@H]2CCCN2)n1.
What is the InChIKey of 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ITQMFPJFESETAR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-9-13-10(15-14-9)12-7-5-8-4-3-6-11-8/h8,11H,2-7H2,1H3,(H,12,13,14)/t8-/m0/s1.
What are the key properties of 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 104973321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).