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

C9H12N4OS2 — CID 65209580

IUPAC2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1snnc1-c1nccs1
InChIInChI=1S/C9H12N4OS2/c1-14-4-2-10-6-7-8(12-13-16-7)9-11-3-5-15-9/h3,5,10H,2,4,6H2,1H3
InChIKeySRUGOZCAUJQPFS-UHFFFAOYSA-N
MW256.36 g/mol
LogP1.40
Rot. Bonds6

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

2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine (PubChem CID 65209580) has the molecular formula C9H12N4OS2 and a molecular weight of 256.36 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine
PubChem CID65209580
Molecular FormulaC9H12N4OS2
Molecular Weight256.36 g/mol
Exact Mass256.05
IUPAC Name2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine
SMILESCOCCNCc1snnc1-c1nccs1
InChIInChI=1S/C9H12N4OS2/c1-14-4-2-10-6-7-8(12-13-16-7)9-11-3-5-15-9/h3,5,10H,2,4,6H2,1H3
InChIKeySRUGOZCAUJQPFS-UHFFFAOYSA-N
XLogP1.40
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine (CID 65209580) is 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine is COCCNCc1snnc1-c1nccs1.
What is the InChIKey of 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine?
The InChIKey is SRUGOZCAUJQPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS2/c1-14-4-2-10-6-7-8(12-13-16-7)9-11-3-5-15-9/h3,5,10H,2,4,6H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine?
2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine has a molecular weight of 256.36 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(1,3-thiazol-2-yl)thiadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 65209580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).