3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine

C6H10N4S — CID 82412366

IUPAC3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCN2)ns1
InChIInChI=1S/C6H10N4S/c7-6-9-5(10-11-6)4-2-1-3-8-4/h4,8H,1-3H2,(H2,7,9,10)
InChIKeyQVQPVLNPIBMEKD-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.54
Rot. Bonds1

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

3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 82412366) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID82412366
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCCN2)ns1
InChIInChI=1S/C6H10N4S/c7-6-9-5(10-11-6)4-2-1-3-8-4/h4,8H,1-3H2,(H2,7,9,10)
InChIKeyQVQPVLNPIBMEKD-UHFFFAOYSA-N
XLogP0.54
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 82412367
4,6-dichloro-2-pyrrolidin-2-ylpyrimidine;hydrochloride
CID 155895891
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
5-pyrrolidin-2-yl-2H-tetrazol-3-ium-3-amine
CID 163502869
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
4-chloro-6-piperidin-2-yl-1,3,5-triazin-2-amine
CID 174788663
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-pyrrolidin-2-ylthiophen-2-amine
CID 130002425
(5aR,9aS)-4,5,5a,6,7,8,9,9a-octahydro-[1,3]thiazolo[4,5-f]quinolin-2-amine;dihydrochloride
CID 88648701
5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine (CID 82412366) is 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine is Nc1nc(C2CCCN2)ns1.
What is the InChIKey of 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is QVQPVLNPIBMEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c7-6-9-5(10-11-6)4-2-1-3-8-4/h4,8H,1-3H2,(H2,7,9,10).
What are the key properties of 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine?
3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 170.24 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82412366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).