2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide

C10H6Cl2N4O3S — CID 107189533

IUPAC2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide
SMILESCc1nsc(NC(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)n1
InChIInChI=1S/C10H6Cl2N4O3S/c1-4-13-10(20-15-4)14-9(17)6-2-5(16(18)19)3-7(11)8(6)12/h2-3H,1H3,(H,13,14,15,17)
InChIKeyXWRNCUYSESIZSG-UHFFFAOYSA-N
MW333.16 g/mol
LogP3.31
Rot. Bonds3

About 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide

2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide (PubChem CID 107189533) has the molecular formula C10H6Cl2N4O3S and a molecular weight of 333.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide
PubChem CID107189533
Molecular FormulaC10H6Cl2N4O3S
Molecular Weight333.16 g/mol
Exact Mass331.95
IUPAC Name2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide
SMILESCc1nsc(NC(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)n1
InChIInChI=1S/C10H6Cl2N4O3S/c1-4-13-10(20-15-4)14-9(17)6-2-5(16(18)19)3-7(11)8(6)12/h2-3H,1H3,(H,13,14,15,17)
InChIKeyXWRNCUYSESIZSG-UHFFFAOYSA-N
XLogP3.31
TPSA98.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,3-dichloro-N-(5-methyl-1H-1,2,4-triazol-3-yl)-5-nitrobenzamide
CID 107191806
2,5-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 104705209
2,3-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 107187504
2,3-dichloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 107191815
4-amino-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3-nitrobenzamide
CID 115661232
2,3-dichloro-N-(4-chloro-3-pyridinyl)-5-nitrobenzamide
CID 107189329
3-chloro-2-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-nitrobenzoic acid
CID 107191646
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-5-nitrobenzamide
CID 2679272
3-hydroxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 103712002
2-chloro-N-(4,6-dimethylpyrimidin-2-yl)-3,5-dinitrobenzamide
CID 3276114
3-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 115661259
2,3-dichloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 107189531

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide?
The IUPAC name of 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide (CID 107189533) is 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide.
What is the SMILES notation for 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide?
The canonical SMILES for 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide is Cc1nsc(NC(=O)c2cc([N+](=O)[O-])cc(Cl)c2Cl)n1.
What is the InChIKey of 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide?
The InChIKey is XWRNCUYSESIZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N4O3S/c1-4-13-10(20-15-4)14-9(17)6-2-5(16(18)19)3-7(11)8(6)12/h2-3H,1H3,(H,13,14,15,17).
What are the key properties of 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide?
2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide has a molecular weight of 333.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-5-nitrobenzamide is sourced from PubChem (CID 107189533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).