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

C8H6ClN3S — CID 23331270

IUPAC3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKeyIUSHKZWNRIGLGO-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.44
Rot. Bonds1

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

3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 23331270) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine
PubChem CID23331270
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(-c2ccc(Cl)cc2)ns1
InChIInChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12)
InChIKeyIUSHKZWNRIGLGO-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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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
1,3,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-
CID 198531
1,2,4-Thiadiazole, 3,5-bis(4-chlorophenyl)-
CID 199390
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
5-(4-Chlorophenyl)-1,2,4-thiadiazol-3-amine
CID 2794757
5-Chloro-3-phenyl-1,2,4-thiadiazole
CID 32262
5-(Chloromethyl)-3-phenyl-1,2,4-thiadiazole
CID 44452479
N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 852341
3,5-Bis(4-chloro-2-methylphenyl)-1,2,4-thiadiazole
CID 57390179
3,5-Bis(5-chloro-2-methylphenyl)-1,2,4-thiadiazole
CID 57397238

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine (CID 23331270) is 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine is Nc1nc(-c2ccc(Cl)cc2)ns1.
What is the InChIKey of 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IUSHKZWNRIGLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H2,10,11,12).
What are the key properties of 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine?
3-(4-chlorophenyl)-1,2,4-thiadiazol-5-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 3-(4-chlorophenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 23331270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).