3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole

C8H13N3S — CID 14763515

IUPAC3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
SMILESCc1nsc(C2CCN(C)C2)n1
InChIInChI=1S/C8H13N3S/c1-6-9-8(12-10-6)7-3-4-11(2)5-7/h7H,3-5H2,1-2H3
InChIKeyBCGHNIYMRAXWBB-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.27
Rot. Bonds1

About 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole

3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole (PubChem CID 14763515) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
PubChem CID14763515
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
SMILESCc1nsc(C2CCN(C)C2)n1
InChIInChI=1S/C8H13N3S/c1-6-9-8(12-10-6)7-3-4-11(2)5-7/h7H,3-5H2,1-2H3
InChIKeyBCGHNIYMRAXWBB-UHFFFAOYSA-N
XLogP1.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71449169
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71451005
3-Methyl-5-pyrrolidin-3-yl-1,2,4-thiadiazole
CID 14763513
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
CID 71454587
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
CID 71459991
3-Methyl-5-(1-methylpiperidin-3-yl)-1,2,4-thiadiazole
CID 58487588
5-(1-Azabicyclo[2.2.1]heptan-3-yl)-3-methyl-1,2,4-thiadiazole
CID 14763553
5-(1-Azabicyclo[2.2.1]heptan-3-yl)-3-ethyl-1,2,4-thiadiazole
CID 14763558
5-(3-Fluoro-3-methylpyrrolidin-1-yl)-3-methyl-1,2,4-thiadiazole
CID 131086179
5-[3-(Difluoromethyl)pyrrolidin-1-yl]-3-(propan-2-yl)-1,2,4-thiadiazole
CID 166600619
5-[3-(Fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 171326414
3-Cyclopropyl-5-[3-(fluoromethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 171326421

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole (CID 14763515) is 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole is Cc1nsc(C2CCN(C)C2)n1.
What is the InChIKey of 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole?
The InChIKey is BCGHNIYMRAXWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-9-8(12-10-6)7-3-4-11(2)5-7/h7H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole?
3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 14763515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).