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

C13H9ClN4S — CID 45034036

IUPACN-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
SMILESClc1ccc(Nc2nc(-c3cccnc3)ns2)cc1
InChIInChI=1S/C13H9ClN4S/c14-10-3-5-11(6-4-10)16-13-17-12(18-19-13)9-2-1-7-15-8-9/h1-8H,(H,16,17,18)
InChIKeyVDBQDYXKJPDIDO-UHFFFAOYSA-N
MW288.76 g/mol
LogP4.00
Rot. Bonds3

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

N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine (PubChem CID 45034036) has the molecular formula C13H9ClN4S and a molecular weight of 288.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
PubChem CID45034036
Molecular FormulaC13H9ClN4S
Molecular Weight288.76 g/mol
Exact Mass288.02
IUPAC NameN-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine
SMILESClc1ccc(Nc2nc(-c3cccnc3)ns2)cc1
InChIInChI=1S/C13H9ClN4S/c14-10-3-5-11(6-4-10)16-13-17-12(18-19-13)9-2-1-7-15-8-9/h1-8H,(H,16,17,18)
InChIKeyVDBQDYXKJPDIDO-UHFFFAOYSA-N
XLogP4.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 1258107
N-(4-chlorophenyl)-4-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 134095406
3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine
CID 42597046
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)amino]oxane-3,4-diol
CID 166681968
N-(4-chlorophenyl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 7012493
5-fluoro-N-(4-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58496115
6-(4-chlorophenyl)-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 935976
5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
CID 167960338
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
1-methyl-3-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1-(thiolan-3-yl)urea
CID 75433159
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine (CID 45034036) is N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine is Clc1ccc(Nc2nc(-c3cccnc3)ns2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is VDBQDYXKJPDIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4S/c14-10-3-5-11(6-4-10)16-13-17-12(18-19-13)9-2-1-7-15-8-9/h1-8H,(H,16,17,18).
What are the key properties of N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine?
N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 288.76 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 45034036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).