5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine

C8H5Cl2N3S — CID 3771774

IUPAC5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C8H5Cl2N3S/c9-4-2-1-3-5(10)6(4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyJWLOJTWDBWTXHD-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.09
Rot. Bonds1

About 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine

5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 3771774) has the molecular formula C8H5Cl2N3S and a molecular weight of 246.12 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID3771774
Molecular FormulaC8H5Cl2N3S
Molecular Weight246.12 g/mol
Exact Mass244.96
IUPAC Name5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C8H5Cl2N3S/c9-4-2-1-3-5(10)6(4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyJWLOJTWDBWTXHD-UHFFFAOYSA-N
XLogP3.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.12
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine (CID 3771774) is 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JWLOJTWDBWTXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3S/c9-4-2-1-3-5(10)6(4)7-12-13-8(11)14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 246.12 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3771774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).