5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine

C8H6ClN3S — CID 668392

IUPAC5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyOAVULPOOAHQYDZ-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.44
Rot. Bonds1

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

5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 668392) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID668392
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChIKeyOAVULPOOAHQYDZ-UHFFFAOYSA-N
XLogP2.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine (CID 668392) is 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is OAVULPOOAHQYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-12-8(10)13-7/h1-4H,(H2,10,12).
What are the key properties of 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine?
5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 211.68 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 668392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).