5-(1-Ethoxy-2-naphthyl)-1,3,4-thiadiazol-2-ylamine - CAS 881040-00-2
Catalog: |
BB066158 |
Product Name: |
5-(1-Ethoxy-2-naphthyl)-1,3,4-thiadiazol-2-ylamine |
CAS: |
881040-00-2 |
Synonyms: |
5-(1-ETHOXY-2-NAPHTHYL)-1,3,4-THIADIAZOL-2-YLAMINE; 5-(1-ethoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-amine; 5-(1-ethoxy-2-naphthyl)-1,3,4-thiadiazol-2-amine |
IUPAC Name: | 5-(1-ethoxynaphthalen-2-yl)-1,3,4-thiadiazol-2-amine |
Description: | 5-(1-Ethoxy-2-naphthyl)-1,3,4-thiadiazol-2-ylamine |
Molecular Weight: | 271.34 |
Molecular Formula: | C14H13N3OS |
Canonical SMILES: | CCOC1=C(C=CC2=CC=CC=C21)C3=NN=C(S3)N |
InChI: | InChI=1S/C14H13N3OS/c1-2-18-12-10-6-4-3-5-9(10)7-8-11(12)13-16-17-14(15)19-13/h3-8H,2H2,1H3,(H2,15,17) |
InChI Key: | UYFQIOSRPOKBDL-UHFFFAOYSA-N |
Complexity: | 304 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.07793322 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.07793322 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 89.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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