5-pyrrolidin-2-ylthiatriazole

C5H8N4S — CID 116985697

IUPAC5-pyrrolidin-2-ylthiatriazole
SMILESC1CNC(c2nnns2)C1
InChIInChI=1S/C5H8N4S/c1-2-4(6-3-1)5-7-8-9-10-5/h4,6H,1-3H2
InChIKeyNFSCALUFVCIBGW-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.36
Rot. Bonds1

About 5-pyrrolidin-2-ylthiatriazole

5-pyrrolidin-2-ylthiatriazole (PubChem CID 116985697) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 5-pyrrolidin-2-ylthiatriazole.

Molecular Properties

Compound Name5-pyrrolidin-2-ylthiatriazole
PubChem CID116985697
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name5-pyrrolidin-2-ylthiatriazole
SMILESC1CNC(c2nnns2)C1
InChIInChI=1S/C5H8N4S/c1-2-4(6-3-1)5-7-8-9-10-5/h4,6H,1-3H2
InChIKeyNFSCALUFVCIBGW-UHFFFAOYSA-N
XLogP0.36
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride
CID 127256245
5-bromo-4-pyrrolidin-2-ylthiadiazole
CID 84697347
2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
2-[(2R)-pyrrolidin-2-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 42078499
5-cyclobutyl-2-piperidin-2-yl-1,3-thiazole
CID 115033669
N-(5-pyrrolidin-2-yl-1,3,4-thiadiazol-2-yl)propane-1-sulfonamide
CID 82176614
2-methyl-5-pyrrolidin-2-yltetrazole;hydrochloride
CID 155895364
2-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
CID 162341596
3-pyrrolidin-2-yl-1,2,4-thiadiazol-5-amine
CID 82412366
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
CID 115020841
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-ylthiatriazole?
The IUPAC name of 5-pyrrolidin-2-ylthiatriazole (CID 116985697) is 5-pyrrolidin-2-ylthiatriazole.
What is the SMILES notation for 5-pyrrolidin-2-ylthiatriazole?
The canonical SMILES for 5-pyrrolidin-2-ylthiatriazole is C1CNC(c2nnns2)C1.
What is the InChIKey of 5-pyrrolidin-2-ylthiatriazole?
The InChIKey is NFSCALUFVCIBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-4(6-3-1)5-7-8-9-10-5/h4,6H,1-3H2.
What are the key properties of 5-pyrrolidin-2-ylthiatriazole?
5-pyrrolidin-2-ylthiatriazole has a molecular weight of 156.21 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-ylthiatriazole is sourced from PubChem (CID 116985697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).