5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine

C10H10ClN3OS — CID 3155973

IUPAC5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Oc1ccccc1Cl)c1nnc(N)s1
InChIInChI=1S/C10H10ClN3OS/c1-6(9-13-14-10(12)16-9)15-8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,14)
InChIKeyXBBIODILCOLBNU-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.91
Rot. Bonds3

About 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine

5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 3155973) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID3155973
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC(Oc1ccccc1Cl)c1nnc(N)s1
InChIInChI=1S/C10H10ClN3OS/c1-6(9-13-14-10(12)16-9)15-8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,14)
InChIKeyXBBIODILCOLBNU-UHFFFAOYSA-N
XLogP2.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine (CID 3155973) is 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine is CC(Oc1ccccc1Cl)c1nnc(N)s1.
What is the InChIKey of 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XBBIODILCOLBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c1-6(9-13-14-10(12)16-9)15-8-5-3-2-4-7(8)11/h2-6H,1H3,(H2,12,14).
What are the key properties of 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine?
5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 255.73 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenoxy)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3155973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).