N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine

C11H19N3OS — CID 122151616

IUPACN-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1nnc(C2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-3-15-7-6-14(2)8-10-12-13-11(16-10)9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyCQRIRGBYIRWJJT-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.88
Rot. Bonds7

About N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine

N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine (PubChem CID 122151616) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine
PubChem CID122151616
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC NameN-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine
SMILESCCOCCN(C)Cc1nnc(C2CC2)s1
InChIInChI=1S/C11H19N3OS/c1-3-15-7-6-14(2)8-10-12-13-11(16-10)9-4-5-9/h9H,3-8H2,1-2H3
InChIKeyCQRIRGBYIRWJJT-UHFFFAOYSA-N
XLogP1.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine (CID 122151616) is N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine is CCOCCN(C)Cc1nnc(C2CC2)s1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine?
The InChIKey is CQRIRGBYIRWJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-3-15-7-6-14(2)8-10-12-13-11(16-10)9-4-5-9/h9H,3-8H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine?
N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine has a molecular weight of 241.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methyl]-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 122151616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).