3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride

C7H12ClN3S — CID 14763514

IUPAC3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride
SMILESCc1nsc(C2CCNC2)n1.Cl
InChIInChI=1S/C7H11N3S.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3;1H
InChIKeyLIZJBGPVCZCYDD-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.35
Rot. Bonds1

About 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride

3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride (PubChem CID 14763514) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride
PubChem CID14763514
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride
SMILESCc1nsc(C2CCNC2)n1.Cl
InChIInChI=1S/C7H11N3S.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3;1H
InChIKeyLIZJBGPVCZCYDD-UHFFFAOYSA-N
XLogP1.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
3-Methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
CID 14763515
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-propyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271165
3-ethyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271166
5-(1-Methylpyrrolidin-3-yl)-1,2,4-thiadiazol-3-amine
CID 20079456
3-Methyl-5-piperidin-3-yl-1,2,4-thiadiazole
CID 46917180
3-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-thiadiazole
CID 46917181
3-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-thiadiazole
CID 46917182
5-Piperidin-3-yl-3-(trideuteriomethyl)-1,2,4-thiadiazole
CID 46917195
5-[(3S)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole
CID 46917196
5-[(3R)-piperidin-3-yl]-3-(trideuteriomethyl)-1,2,4-thiadiazole
CID 46917197

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride?
The IUPAC name of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride (CID 14763514) is 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride.
What is the SMILES notation for 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride?
The canonical SMILES for 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride is Cc1nsc(C2CCNC2)n1.Cl.
What is the InChIKey of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride?
The InChIKey is LIZJBGPVCZCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c1-5-9-7(11-10-5)6-2-3-8-4-6;/h6,8H,2-4H2,1H3;1H.
What are the key properties of 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride?
3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole;hydrochloride is sourced from PubChem (CID 14763514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).