N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

C9H16N4S — CID 65271318

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1ncns1
InChIInChI=1S/C9H16N4S/c1-2-13-5-3-4-8(13)6-10-9-11-7-12-14-9/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyLSIRVHRUXOSQDS-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.43
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271318) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271318
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN1CCCC1CNc1ncns1
InChIInChI=1S/C9H16N4S/c1-2-13-5-3-4-8(13)6-10-9-11-7-12-14-9/h7-8H,2-6H2,1H3,(H,10,11,12)
InChIKeyLSIRVHRUXOSQDS-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271318) is N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is CCN1CCCC1CNc1ncns1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is LSIRVHRUXOSQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-13-5-3-4-8(13)6-10-9-11-7-12-14-9/h7-8H,2-6H2,1H3,(H,10,11,12).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).