1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine

C10H18N4S — CID 43663932

IUPAC1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1csnn1
InChIInChI=1S/C10H18N4S/c1-2-14-5-3-4-10(14)7-11-6-9-8-15-13-12-9/h8,10-11H,2-7H2,1H3
InChIKeyDUCQCUBNJHTDOU-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.11
Rot. Bonds5

About 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine

1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 43663932) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID43663932
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCCN1CCCC1CNCc1csnn1
InChIInChI=1S/C10H18N4S/c1-2-14-5-3-4-10(14)7-11-6-9-8-15-13-12-9/h8,10-11H,2-7H2,1H3
InChIKeyDUCQCUBNJHTDOU-UHFFFAOYSA-N
XLogP1.11
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine 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 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 43663932) is 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine is CCN1CCCC1CNCc1csnn1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is DUCQCUBNJHTDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-2-14-5-3-4-10(14)7-11-6-9-8-15-13-12-9/h8,10-11H,2-7H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 226.35 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 43663932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).