2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride

C6H10ClN3S — CID 127256245

IUPAC2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride
SMILESCl.c1nnc([C@@H]2CCCN2)s1
InChIInChI=1S/C6H9N3S.ClH/c1-2-5(7-3-1)6-9-8-4-10-6;/h4-5,7H,1-3H2;1H/t5-;/m0./s1
InChIKeyBAPAOIJRNUGUMB-JEDNCBNOSA-N
MW191.69 g/mol
LogP1.38
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride

2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride (PubChem CID 127256245) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride
PubChem CID127256245
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride
SMILESCl.c1nnc([C@@H]2CCCN2)s1
InChIInChI=1S/C6H9N3S.ClH/c1-2-5(7-3-1)6-9-8-4-10-6;/h4-5,7H,1-3H2;1H/t5-;/m0./s1
InChIKeyBAPAOIJRNUGUMB-JEDNCBNOSA-N
XLogP1.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-pyrrolidin-2-ylthiatriazole
CID 116985697
2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole
CID 7047975
2-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole;hydrochloride
CID 162341596
N-(2-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 114695446
5-bromo-4-pyrrolidin-2-ylthiadiazole
CID 84697347
4-[(2R)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171195835
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
5-pyrrolidin-2-yl-2H-tetrazole;hydrochloride
CID 42962676
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)ethanamine
CID 83292303
2-(2-pyrrolidin-2-yl-1,3-thiazol-4-yl)acetaldehyde
CID 115088378
2-[2-[(2R)-pyrrolidin-2-yl]-1,3-thiazol-4-yl]ethanamine
CID 82670556
2-[(2R)-pyrrolidin-2-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 42078499

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride (CID 127256245) is 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride is Cl.c1nnc([C@@H]2CCCN2)s1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride?
The InChIKey is BAPAOIJRNUGUMB-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9N3S.ClH/c1-2-5(7-3-1)6-9-8-4-10-6;/h4-5,7H,1-3H2;1H/t5-;/m0./s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride?
2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride has a molecular weight of 191.69 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 127256245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).