5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

C13H12N4OS2 — CID 82423750

IUPAC5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnc(CCOc3ccccc3)s2)s1
InChIInChI=1S/C13H12N4OS2/c14-13-17-16-12(20-13)10-8-15-11(19-10)6-7-18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,17)
InChIKeyBHWIMGDURBSARK-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.87
Rot. Bonds5

About 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine

5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 82423750) has the molecular formula C13H12N4OS2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
PubChem CID82423750
Molecular FormulaC13H12N4OS2
Molecular Weight304.40 g/mol
Exact Mass304.05
IUPAC Name5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2cnc(CCOc3ccccc3)s2)s1
InChIInChI=1S/C13H12N4OS2/c14-13-17-16-12(20-13)10-8-15-11(19-10)6-7-18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,17)
InChIKeyBHWIMGDURBSARK-UHFFFAOYSA-N
XLogP2.87
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine (CID 82423750) is 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2cnc(CCOc3ccccc3)s2)s1.
What is the InChIKey of 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BHWIMGDURBSARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS2/c14-13-17-16-12(20-13)10-8-15-11(19-10)6-7-18-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,17).
What are the key properties of 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine?
5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 304.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-phenoxyethyl)-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82423750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).