2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine

C9H16N4S — CID 43663994

IUPAC2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESc1snnc1CNCCN1CCCC1
InChIInChI=1S/C9H16N4S/c1-2-5-13(4-1)6-3-10-7-9-8-14-12-11-9/h8,10H,1-7H2
InChIKeyZSJYWJMXTOGTIF-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.72
Rot. Bonds5

About 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine

2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine (PubChem CID 43663994) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
PubChem CID43663994
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
SMILESc1snnc1CNCCN1CCCC1
InChIInChI=1S/C9H16N4S/c1-2-5-13(4-1)6-3-10-7-9-8-14-12-11-9/h8,10H,1-7H2
InChIKeyZSJYWJMXTOGTIF-UHFFFAOYSA-N
XLogP0.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-1-yl-3-(thiadiazol-4-ylmethylamino)propan-1-one
CID 115587369
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 28781366
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 115905144
N-[(1-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 78920944
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-(azepan-1-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708858
N-[2-(thiadiazol-4-ylmethylamino)ethyl]acetamide
CID 43664056
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 64800508
2-[4-(thiadiazol-4-ylmethyl)piperazin-1-yl]ethanol
CID 115753000
N-[(6-methoxy-2-pyridinyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 63984106

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine (CID 43663994) is 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine is c1snnc1CNCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
The InChIKey is ZSJYWJMXTOGTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-2-5-13(4-1)6-3-10-7-9-8-14-12-11-9/h8,10H,1-7H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine?
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine has a molecular weight of 212.32 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 43663994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).