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

C9H5Cl2N3O2S — CID 107679572

IUPAC5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1nnc(Cl)s1
InChIInChI=1S/C9H5Cl2N3O2S/c10-5-3-4(1-2-6(5)15)12-7(16)8-13-14-9(11)17-8/h1-3,15H,(H,12,16)
InChIKeyRWFLBRXKDVZBEH-UHFFFAOYSA-N
MW290.13 g/mol
LogP2.80
Rot. Bonds2

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

5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107679572) has the molecular formula C9H5Cl2N3O2S and a molecular weight of 290.13 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107679572
Molecular FormulaC9H5Cl2N3O2S
Molecular Weight290.13 g/mol
Exact Mass288.95
IUPAC Name5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1nnc(Cl)s1
InChIInChI=1S/C9H5Cl2N3O2S/c10-5-3-4(1-2-6(5)15)12-7(16)8-13-14-9(11)17-8/h1-3,15H,(H,12,16)
InChIKeyRWFLBRXKDVZBEH-UHFFFAOYSA-N
XLogP2.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
5-chloro-N-[4-(propanoylamino)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624941
5-chloro-N-(4-fluoro-3-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625004
5-chloro-N-(3-fluoro-4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625824
N-(3,4-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618888
5-chloro-N-[4-(sulfamoylmethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625452
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
3,5-dibromo-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 107972808
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 107679572) is 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is RWFLBRXKDVZBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N3O2S/c10-5-3-4(1-2-6(5)15)12-7(16)8-13-14-9(11)17-8/h1-3,15H,(H,12,16).
What are the key properties of 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 290.13 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107679572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).