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

C11H20N4S — CID 65208839

IUPACN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1nnc(C)s1
InChIInChI=1S/C11H20N4S/c1-3-6-12-8-10-5-4-7-15(10)11-14-13-9(2)16-11/h10,12H,3-8H2,1-2H3
InChIKeyGKOPZMYYDRVRML-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.81
Rot. Bonds5

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

N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine (PubChem CID 65208839) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
PubChem CID65208839
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC NameN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCN1c1nnc(C)s1
InChIInChI=1S/C11H20N4S/c1-3-6-12-8-10-5-4-7-15(10)11-14-13-9(2)16-11/h10,12H,3-8H2,1-2H3
InChIKeyGKOPZMYYDRVRML-UHFFFAOYSA-N
XLogP1.81
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine (CID 65208839) is N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCN1c1nnc(C)s1.
What is the InChIKey of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
The InChIKey is GKOPZMYYDRVRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-3-6-12-8-10-5-4-7-15(10)11-14-13-9(2)16-11/h10,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine?
N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine has a molecular weight of 240.38 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 65208839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).