5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole

C12H21N3S — CID 133491255

IUPAC5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2C(C)CCC2C)n1
InChIInChI=1S/C12H21N3S/c1-8(2)7-11-13-12(16-14-11)15-9(3)5-6-10(15)4/h8-10H,5-7H2,1-4H3
InChIKeyTZNWKAFBTPYJKV-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.11
Rot. Bonds3

About 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole

5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole (PubChem CID 133491255) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
PubChem CID133491255
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
SMILESCC(C)Cc1nsc(N2C(C)CCC2C)n1
InChIInChI=1S/C12H21N3S/c1-8(2)7-11-13-12(16-14-11)15-9(3)5-6-10(15)4/h8-10H,5-7H2,1-4H3
InChIKeyTZNWKAFBTPYJKV-UHFFFAOYSA-N
XLogP3.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 97329516
5-(4-cyclohexylpiperazin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133493059
1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxylic acid
CID 122058781
4-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-3-yl]morpholine
CID 133484390
2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]acetamide
CID 133485154
3-(2-methylpropyl)-5-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]-1,2,4-thiadiazole
CID 133485848
4-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperazin-2-one
CID 136532398
N-(3,5-dimethoxyphenyl)-1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]piperidin-4-amine
CID 133485658
3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133493081
(2S)-1-(5-piperidin-1-yl-1,2,4-thiadiazol-3-yl)propan-2-ol
CID 124508353
1-(furan-2-yl)-2-[1-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]azepan-2-yl]ethanol
CID 133491384
2-[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]ethanamine
CID 82406037

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
The IUPAC name of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole (CID 133491255) is 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
The canonical SMILES for 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole is CC(C)Cc1nsc(N2C(C)CCC2C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
The InChIKey is TZNWKAFBTPYJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(2)7-11-13-12(16-14-11)15-9(3)5-6-10(15)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole?
5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole has a molecular weight of 239.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrrolidin-1-yl)-3-(2-methylpropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 133491255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).