5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide

C9H6Cl2N4OS — CID 80619531

IUPAC5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C9H6Cl2N4OS/c10-4-2-1-3-5(6(4)11)13-7(16)8-14-15-9(12)17-8/h1-3H,(H2,12,15)(H,13,16)
InChIKeyAOMAIQNJFJDHTE-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.68
Rot. Bonds2

About 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80619531) has the molecular formula C9H6Cl2N4OS and a molecular weight of 289.15 g/mol. Its IUPAC name is 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80619531
Molecular FormulaC9H6Cl2N4OS
Molecular Weight289.15 g/mol
Exact Mass287.96
IUPAC Name5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2cccc(Cl)c2Cl)s1
InChIInChI=1S/C9H6Cl2N4OS/c10-4-2-1-3-5(6(4)11)13-7(16)8-14-15-9(12)17-8/h1-3H,(H2,12,15)(H,13,16)
InChIKeyAOMAIQNJFJDHTE-UHFFFAOYSA-N
XLogP2.68
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide 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

5-amino-N-(2-propan-2-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618760
5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 113445673
5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617284
5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
N-(2-chlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615264
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
N-(2,3-dichlorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705384
2-amino-N-(2,3-dichlorophenyl)-5-methylbenzamide
CID 62509307
6-[(2,3-dichlorophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558439
N-(2,3-dichlorophenyl)-2-iodobenzamide
CID 1043515
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
4-(2-amino-2-oxoethyl)-N-(2,3-dichlorophenyl)benzamide
CID 14883992

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80619531) is 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)Nc2cccc(Cl)c2Cl)s1.
What is the InChIKey of 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is AOMAIQNJFJDHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4OS/c10-4-2-1-3-5(6(4)11)13-7(16)8-14-15-9(12)17-8/h1-3H,(H2,12,15)(H,13,16).
What are the key properties of 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 289.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80619531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).