3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid

C11H7Cl2N3O3S — CID 43331475

IUPAC3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nnsc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H7Cl2N3O3S/c1-4-9(20-16-15-4)10(17)14-8-6(11(18)19)2-5(12)3-7(8)13/h2-3H,1H3,(H,14,17)(H,18,19)
InChIKeyWYOQNJNSNSGIHG-UHFFFAOYSA-N
MW332.17 g/mol
LogP3.10
Rot. Bonds3

About 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid

3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid (PubChem CID 43331475) has the molecular formula C11H7Cl2N3O3S and a molecular weight of 332.17 g/mol. Its IUPAC name is 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
PubChem CID43331475
Molecular FormulaC11H7Cl2N3O3S
Molecular Weight332.17 g/mol
Exact Mass330.96
IUPAC Name3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
SMILESCc1nnsc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O
InChIInChI=1S/C11H7Cl2N3O3S/c1-4-9(20-16-15-4)10(17)14-8-6(11(18)19)2-5(12)3-7(8)13/h2-3H,1H3,(H,14,17)(H,18,19)
InChIKeyWYOQNJNSNSGIHG-UHFFFAOYSA-N
XLogP3.10
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
3,5-dichloro-2-(thiadiazol-5-ylcarbamoylamino)benzoic acid
CID 114913171
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
3,5-dichloroaniline;4-methylthiadiazole-5-carboxylic acid
CID 70612448
5-bromo-N-(2,4,6-trichlorophenyl)thiadiazole-4-carboxamide
CID 1498983
3,5-dichloro-2-[(5-iodothiophene-3-carbonyl)amino]benzoic acid
CID 79685256
3,5-dichloro-2-(1H-pyrrole-2-carbonylamino)benzoic acid
CID 43331485
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 7576779
N-[4-(aminomethyl)-3-chlorophenyl]-4-methylthiadiazole-5-carboxamide
CID 174391939
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
The IUPAC name of 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid (CID 43331475) is 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid is Cc1nnsc1C(=O)Nc1c(Cl)cc(Cl)cc1C(=O)O.
What is the InChIKey of 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
The InChIKey is WYOQNJNSNSGIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O3S/c1-4-9(20-16-15-4)10(17)14-8-6(11(18)19)2-5(12)3-7(8)13/h2-3H,1H3,(H,14,17)(H,18,19).
What are the key properties of 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid?
3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid has a molecular weight of 332.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 43331475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).