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

C9H16N4S — CID 106321971

IUPACN-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2nncs2)C1
InChIInChI=1S/C9H16N4S/c1-9(5-10-2)3-4-13(6-9)8-12-11-7-14-8/h7,10H,3-6H2,1-2H3
InChIKeyGJSURVDJWVIGTN-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.97
Rot. Bonds3

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

N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 106321971) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID106321971
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1(C)CCN(c2nncs2)C1
InChIInChI=1S/C9H16N4S/c1-9(5-10-2)3-4-13(6-9)8-12-11-7-14-8/h7,10H,3-6H2,1-2H3
InChIKeyGJSURVDJWVIGTN-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 115305535
N-methyl-1-[3-methyl-1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]methanamine
CID 114173327
N-methyl-1-(3-methyl-1-pyridin-4-ylpyrrolidin-3-yl)methanamine
CID 106321908
N-methyl-1-[3-methyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106321975
N-methyl-1-[3-methyl-1-(3-propyl-1,2,4-thiadiazol-5-yl)pyrrolidin-3-yl]methanamine
CID 106321886
1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 130505371
1-[1-(3-bromo-5-chloro-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321819
1-(1-isoquinolin-1-yl-3-methylpyrrolidin-3-yl)-N-methylmethanamine
CID 106321968
1-[1-(5-methoxy-2-pyridinyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321981
1-[1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321931
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine (CID 106321971) is N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine is CNCC1(C)CCN(c2nncs2)C1.
What is the InChIKey of N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is GJSURVDJWVIGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-9(5-10-2)3-4-13(6-9)8-12-11-7-14-8/h7,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-1-(1,3,4-thiadiazol-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 106321971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).