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

C8H5Cl2N3S — CID 554213

IUPAC5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C8H5Cl2N3S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyQNVGTVGYFLNBOG-UHFFFAOYSA-N
MW246.12 g/mol
LogP3.09
Rot. Bonds1

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

5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 554213) has the molecular formula C8H5Cl2N3S and a molecular weight of 246.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
PubChem CID554213
Molecular FormulaC8H5Cl2N3S
Molecular Weight246.12 g/mol
Exact Mass244.96
IUPAC Name5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(-c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C8H5Cl2N3S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyQNVGTVGYFLNBOG-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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Related Compounds

5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 182638
5-(4-Chlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 702289
5-(2,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 676566
5-(3-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 2772306
5-(3,4-Dichlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 659915
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
[5-(2,6-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091213
1,3,4-Thiadiazole, 2-amino-5-(o-chlorophenyl)-, hydrochloride, hydrate
CID 11971453
5-[(3-Chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 3668594
5-(2,6-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 3771774

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine (CID 554213) is 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QNVGTVGYFLNBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine?
5-(3,4-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-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 554213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).