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

C8H6ClN3S — CID 11820477

IUPAC4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine
SMILESNc1nsnc1-c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKeyFZULXODDSFWBFJ-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.44
Rot. Bonds1

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

4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine (PubChem CID 11820477) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine
PubChem CID11820477
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine
SMILESNc1nsnc1-c1ccc(Cl)cc1
InChIInChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12)
InChIKeyFZULXODDSFWBFJ-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 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine (CID 11820477) is 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine is Nc1nsnc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is FZULXODDSFWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12).
What are the key properties of 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine?
4-(4-chlorophenyl)-1,2,5-thiadiazol-3-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 4-(4-chlorophenyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 11820477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).