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

C10H18N4S — CID 65208055

IUPACN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1nnc(C)s1
InChIInChI=1S/C10H18N4S/c1-3-11-7-9-5-4-6-14(9)10-13-12-8(2)15-10/h9,11H,3-7H2,1-2H3
InChIKeyKULQMIVUKHOQJH-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.42
Rot. Bonds4

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

N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine (PubChem CID 65208055) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine
PubChem CID65208055
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCN1c1nnc(C)s1
InChIInChI=1S/C10H18N4S/c1-3-11-7-9-5-4-6-14(9)10-13-12-8(2)15-10/h9,11H,3-7H2,1-2H3
InChIKeyKULQMIVUKHOQJH-UHFFFAOYSA-N
XLogP1.42
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine 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]ethanamine?
The IUPAC name of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine (CID 65208055) is N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine is CCNCC1CCCN1c1nnc(C)s1.
What is the InChIKey of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
The InChIKey is KULQMIVUKHOQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-3-11-7-9-5-4-6-14(9)10-13-12-8(2)15-10/h9,11H,3-7H2,1-2H3.
What are the key properties of N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine?
N-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolidin-2-yl]methyl]ethanamine has a molecular weight of 226.35 g/mol, XLogP of 1.42, 4 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]ethanamine is sourced from PubChem (CID 65208055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).