3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine

C9H16N4S — CID 65267509

IUPAC3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(C)C2)n1
InChIInChI=1S/C9H16N4S/c1-7-11-9(14-12-7)10-5-8-3-4-13(2)6-8/h8H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyKPDOGUSFENZBBQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.21
Rot. Bonds3

About 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine

3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65267509) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65267509
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NCC2CCN(C)C2)n1
InChIInChI=1S/C9H16N4S/c1-7-11-9(14-12-7)10-5-8-3-4-13(2)6-8/h8H,3-6H2,1-2H3,(H,10,11,12)
InChIKeyKPDOGUSFENZBBQ-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
3-methyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65267507
3-tert-butyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271052
3-propan-2-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271108
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109
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
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
3-tert-butyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052698
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304734

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65267509) is 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is Cc1nsc(NCC2CCN(C)C2)n1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KPDOGUSFENZBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-11-9(14-12-7)10-5-8-3-4-13(2)6-8/h8H,3-6H2,1-2H3,(H,10,11,12).
What are the key properties of 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).