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

C7H11N3S — CID 59034812

IUPAC2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC2)s1
InChIInChI=1S/C7H11N3S/c1-6-8-9-7(11-6)10-4-2-3-5-10/h2-5H2,1H3
InChIKeyPLYNYPPXLGUGOY-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.45
Rot. Bonds1

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

2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 59034812) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID59034812
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCCC2)s1
InChIInChI=1S/C7H11N3S/c1-6-8-9-7(11-6)10-4-2-3-5-10/h2-5H2,1H3
InChIKeyPLYNYPPXLGUGOY-UHFFFAOYSA-N
XLogP1.45
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 86769314
3-[(2-Cyanoethyl)(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanenitrile
CID 652556
2-(1-Pyrrolidinyl)-5-trifluoromethyl-1,3,4-thiadi-azole
CID 86234257
2-(Difluoromethyl)-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 71848646
N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 164633838
2-Ethyl-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 154700595
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269215
2-[2-(Fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126787286
2-(3-Fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 126989358
2-(3,3-Difluoropyrrolidin-1-yl)-5-(propan-2-yl)-1,3,4-thiadiazole
CID 127749765
2-(3-Fluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 171701626
2,3-Dimethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazol-3-ium
CID 20721789

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 59034812) is 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is Cc1nnc(N2CCCC2)s1.
What is the InChIKey of 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is PLYNYPPXLGUGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-6-8-9-7(11-6)10-4-2-3-5-10/h2-5H2,1H3.
What are the key properties of 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 169.25 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 59034812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).