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

C10H18N4S — CID 65276112

IUPAC3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCC2CCNC2)n1
InChIInChI=1S/C10H18N4S/c1-2-9-13-10(15-14-9)12-6-4-8-3-5-11-7-8/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyDLHUYSCUXQVXNY-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.51
Rot. Bonds5

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

3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65276112) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65276112
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCC2CCNC2)n1
InChIInChI=1S/C10H18N4S/c1-2-9-13-10(15-14-9)12-6-4-8-3-5-11-7-8/h8,11H,2-7H2,1H3,(H,12,13,14)
InChIKeyDLHUYSCUXQVXNY-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
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-[(2S)-pyrrolidin-2-yl]ethyl]-1,2,4-thiadiazol-5-amine
CID 104973321
3-methyl-N-(2-piperidin-4-ylethyl)-1,2,4-thiadiazol-5-amine
CID 83839875
3-ethyl-N-(2-fluoroethyl)-1,2,4-thiadiazol-5-amine
CID 130478087
N-(2-cyclopentyloxyethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65273869
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
N'-cyclopropyl-N'-ethyl-N-(3-ethyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 103739545
4-chloro-N-(2-piperidin-3-ylethyl)-1,3-thiazol-2-amine
CID 83156155
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65272512
4,5-dimethyl-N-(2-piperidin-4-ylethyl)-1,3-thiazol-2-amine
CID 82513380
N-(4-chlorobutyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 106845066
N-(2-pyrrolidin-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114401742

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine (CID 65276112) is 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCC2CCNC2)n1.
What is the InChIKey of 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is DLHUYSCUXQVXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-9-13-10(15-14-9)12-6-4-8-3-5-11-7-8/h8,11H,2-7H2,1H3,(H,12,13,14).
What are the key properties of 3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine?
3-ethyl-N-(2-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 226.35 g/mol, XLogP of 1.51, 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-pyrrolidin-3-ylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).