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

C9H16N4S — CID 62182093

IUPACN-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN1CCC(C)C1
InChIInChI=1S/C9H16N4S/c1-7-3-4-13(5-7)6-8-9(10-2)14-12-11-8/h7,10H,3-6H2,1-2H3
InChIKeyMUJJQBVCZZTTJN-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.42
Rot. Bonds3

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

N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine (PubChem CID 62182093) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine
PubChem CID62182093
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine
SMILESCNc1snnc1CN1CCC(C)C1
InChIInChI=1S/C9H16N4S/c1-7-3-4-13(5-7)6-8-9(10-2)14-12-11-8/h7,10H,3-6H2,1-2H3
InChIKeyMUJJQBVCZZTTJN-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 63634062
4-[(4,4-dimethylpiperidin-1-yl)methyl]-N-methylthiadiazol-5-amine
CID 62931824
N-methyl-4-(thiomorpholin-4-ylmethyl)thiadiazol-5-amine
CID 62178560
2-[1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691379
4-[[5-(methylamino)thiadiazol-4-yl]methyl]morpholine-2-carbonitrile
CID 79680862
4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-N-methylthiadiazol-5-amine
CID 62182946
[4-[(3,5-dimethylpiperidin-1-yl)methyl]thiadiazol-5-yl]hydrazine
CID 62244417
4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]piperidine-2,6-dione
CID 79506357
4-methyl-1-[[5-(methylamino)thiadiazol-4-yl]methyl]azepan-4-ol
CID 107408560
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-propylthiadiazol-5-amine
CID 62184364
4-[(3,4-dimethylpiperazin-1-yl)methyl]-N-ethylthiadiazol-5-amine
CID 63633354
1-cyclopropyl-3-[[5-(methylamino)thiadiazol-4-yl]methyl]imidazol-2-one
CID 80583272

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine?
The IUPAC name of N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine (CID 62182093) is N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine.
What is the SMILES notation for N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine?
The canonical SMILES for N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine is CNc1snnc1CN1CCC(C)C1.
What is the InChIKey of N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine?
The InChIKey is MUJJQBVCZZTTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-3-4-13(5-7)6-8-9(10-2)14-12-11-8/h7,10H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine?
N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine has a molecular weight of 212.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiadiazol-5-amine is sourced from PubChem (CID 62182093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).