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

C7H12N4S — CID 82406506

IUPAC3-piperidin-4-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCNCC2)ns1
InChIInChI=1S/C7H12N4S/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H2,8,10,11)
InChIKeyQOBZDMFSBLOPFO-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.59
Rot. Bonds1

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

3-piperidin-4-yl-1,2,4-thiadiazol-5-amine (PubChem CID 82406506) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-piperidin-4-yl-1,2,4-thiadiazol-5-amine
PubChem CID82406506
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name3-piperidin-4-yl-1,2,4-thiadiazol-5-amine
SMILESNc1nc(C2CCNCC2)ns1
InChIInChI=1S/C7H12N4S/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H2,8,10,11)
InChIKeyQOBZDMFSBLOPFO-UHFFFAOYSA-N
XLogP0.59
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.59
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
3-cyclopentyl-1,2,4-thiadiazol-5-amine
CID 60923099
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
3-cyclopropyl-5-(piperidin-4-ylmethoxy)-1,2,4-thiadiazole
CID 65275321
2,4-dimethyl-6-piperidin-4-yl-1,3,5-triazine
CID 82468969
4,5,6-trimethyl-2-piperidin-4-ylpyrimidine
CID 63317217
tert-butyl 3-(5-amino-1,2,4-thiadiazol-3-yl)azetidine-1-carboxylate
CID 155943867
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
2-piperidin-4-yl-1,3-thiazol-5-amine
CID 172992650
2-piperidin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 105475953
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine (CID 82406506) is 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine is Nc1nc(C2CCNCC2)ns1.
What is the InChIKey of 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is QOBZDMFSBLOPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c8-7-10-6(11-12-7)5-1-3-9-4-2-5/h5,9H,1-4H2,(H2,8,10,11).
What are the key properties of 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine?
3-piperidin-4-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 184.27 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82406506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).