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

C9H6ClN5O3S — CID 80617284

IUPAC5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1
InChIInChI=1S/C9H6ClN5O3S/c10-5-2-1-4(15(17)18)3-6(5)12-7(16)8-13-14-9(11)19-8/h1-3H,(H2,11,14)(H,12,16)
InChIKeyTUWMCTWMESUTIX-UHFFFAOYSA-N
MW299.70 g/mol
LogP1.93
Rot. Bonds3

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

5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617284) has the molecular formula C9H6ClN5O3S and a molecular weight of 299.70 g/mol. Its IUPAC name is 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617284
Molecular FormulaC9H6ClN5O3S
Molecular Weight299.70 g/mol
Exact Mass298.99
IUPAC Name5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1
InChIInChI=1S/C9H6ClN5O3S/c10-5-2-1-4(15(17)18)3-6(5)12-7(16)8-13-14-9(11)19-8/h1-3H,(H2,11,14)(H,12,16)
InChIKeyTUWMCTWMESUTIX-UHFFFAOYSA-N
XLogP1.93
TPSA124.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-amino-N-(2-chloro-5-nitrophenyl)-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

2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667
5-chloro-N-(2-chloro-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625696
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619531
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
N-(5-bromo-2-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 62908559
3-amino-N-(2-chloro-5-nitrophenyl)-6-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23745625
N,N'-bis(2-chloro-5-nitrophenyl)-2,2,3,3-tetrafluorobutanediamide
CID 3519654
(2R)-2-amino-N-(2-chloro-5-nitrophenyl)propanamide
CID 78972381
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80617284) is 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)s1.
What is the InChIKey of 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is TUWMCTWMESUTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN5O3S/c10-5-2-1-4(15(17)18)3-6(5)12-7(16)8-13-14-9(11)19-8/h1-3H,(H2,11,14)(H,12,16).
What are the key properties of 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 299.70 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).