N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

C10H5Cl2N5OS — CID 110384752

IUPACN-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1nn2cnnc2s1
InChIInChI=1S/C10H5Cl2N5OS/c11-6-2-1-5(3-7(6)12)14-8(18)9-16-17-4-13-15-10(17)19-9/h1-4H,(H,14,18)
InChIKeyILJZFVALORMYHF-UHFFFAOYSA-N
MW314.16 g/mol
LogP2.74
Rot. Bonds2

About N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide

N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (PubChem CID 110384752) has the molecular formula C10H5Cl2N5OS and a molecular weight of 314.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
PubChem CID110384752
Molecular FormulaC10H5Cl2N5OS
Molecular Weight314.16 g/mol
Exact Mass312.96
IUPAC NameN-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1nn2cnnc2s1
InChIInChI=1S/C10H5Cl2N5OS/c11-6-2-1-5(3-7(6)12)14-8(18)9-16-17-4-13-15-10(17)19-9/h1-4H,(H,14,18)
InChIKeyILJZFVALORMYHF-UHFFFAOYSA-N
XLogP2.74
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384724
N-(4-chloro-2-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384693
2,5-dichloro-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4679677
N-(3,4-dichlorophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618888
2,5-dichloro-N-[3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 3440915
5-chloro-N-(3-chloro-4-hydroxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107679572
6-chloro-N-(3,4-dichlorophenyl)pyridazine-3-carboxamide
CID 54926951
N-quinolin-8-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide
CID 110384743
5-acetyl-N-(3,4-dichlorophenyl)thiophene-2-carboxamide
CID 9071635
N-(3-carbamoyl-4-chlorophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80626101
N-(3,4-dichlorophenyl)-2-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)acetamide
CID 71828990
N-(3,4-dichlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 7293435

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide (CID 110384752) is N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1nn2cnnc2s1.
What is the InChIKey of N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
The InChIKey is ILJZFVALORMYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2N5OS/c11-6-2-1-5(3-7(6)12)14-8(18)9-16-17-4-13-15-10(17)19-9/h1-4H,(H,14,18).
What are the key properties of N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide?
N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide has a molecular weight of 314.16 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carboxamide is sourced from PubChem (CID 110384752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).