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

C6H10N4S — CID 82412367

IUPAC3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCNC2)ns1
InChIInChI=1S/C6H10N4S/c7-6-9-5(10-11-6)4-1-2-8-3-4/h4,8H,1-3H2,(H2,7,9,10)
InChIKeyPXQFPKQMHACRKP-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.20
Rot. Bonds1

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

3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 82412367) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID82412367
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCNC2)ns1
InChIInChI=1S/C6H10N4S/c7-6-9-5(10-11-6)4-1-2-8-3-4/h4,8H,1-3H2,(H2,7,9,10)
InChIKeyPXQFPKQMHACRKP-UHFFFAOYSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 82406506
3-cyclopentyl-1,2,4-thiadiazol-5-amine
CID 60923099
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
CID 82412366
3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-thiadiazol-5-amine
CID 65409055
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
4,6-dimethyl-2-piperidin-3-ylpyrimidine;dihydrochloride
CID 71299007
3-(dideuteriomethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole
CID 46917216
tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
CID 155943867
2-(azetidin-3-yl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034156

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine (CID 82412367) is 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine is Nc1nc(C2CCNC2)ns1.
What is the InChIKey of 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is PXQFPKQMHACRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c7-6-9-5(10-11-6)4-1-2-8-3-4/h4,8H,1-3H2,(H2,7,9,10).
What are the key properties of 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine?
3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 170.24 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82412367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).