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

C9H16N4S — CID 65208284

IUPACN-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1c1nnc(C)s1
InChIInChI=1S/C9H16N4S/c1-7-11-12-9(14-7)13-5-3-4-8(13)6-10-2/h8,10H,3-6H2,1-2H3
InChIKeyXSZCTHQHKJTGBX-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.03
Rot. Bonds3

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

N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 65208284) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID65208284
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1c1nnc(C)s1
InChIInChI=1S/C9H16N4S/c1-7-11-12-9(14-7)13-5-3-4-8(13)6-10-2/h8,10H,3-6H2,1-2H3
InChIKeyXSZCTHQHKJTGBX-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine (CID 65208284) is N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine is CNCC1CCCN1c1nnc(C)s1.
What is the InChIKey of N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is XSZCTHQHKJTGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-11-12-9(14-7)13-5-3-4-8(13)6-10-2/h8,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 65208284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).