[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine

C9H16N4S — CID 102783879

IUPAC[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESCc1nnc(N2CCC(C)C2CN)s1
InChIInChI=1S/C9H16N4S/c1-6-3-4-13(8(6)5-10)9-12-11-7(2)14-9/h6,8H,3-5,10H2,1-2H3
InChIKeyHAZARMOWDNSOMH-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.02
Rot. Bonds2

About [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine

[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 102783879) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID102783879
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESCc1nnc(N2CCC(C)C2CN)s1
InChIInChI=1S/C9H16N4S/c1-6-3-4-13(8(6)5-10)9-12-11-7(2)14-9/h6,8H,3-5,10H2,1-2H3
InChIKeyHAZARMOWDNSOMH-UHFFFAOYSA-N
XLogP1.02
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(chloromethyl)-2-ethylpyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 131007587
[1-(5-bromo-1,3,4-thiadiazol-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784107
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-methyl-1,3,4-thiadiazole
CID 133354542
[3-methyl-1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methanamine
CID 65272964
[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-2-yl]methanol
CID 102786812
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-3-methylpiperidin-2-yl]methanamine
CID 114787115
[3-methyl-1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102784171
[3-methyl-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102783996
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
[3-methyl-1-(2-methyl-4-pyridinyl)pyrrolidin-2-yl]methanamine
CID 102783955
2-[2-(chloromethyl)azepan-1-yl]-5-methyl-1,3,4-thiadiazole
CID 116638932
[1-(3-bromo-5-methyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanamine
CID 102784195

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine (CID 102783879) is [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine is Cc1nnc(N2CCC(C)C2CN)s1.
What is the InChIKey of [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is HAZARMOWDNSOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-6-3-4-13(8(6)5-10)9-12-11-7(2)14-9/h6,8H,3-5,10H2,1-2H3.
What are the key properties of [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
[3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102783879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).