N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide

C10H7N5OS — CID 168652646

IUPACN-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide
SMILESO=CNc1ccc(-c2nn3cnnc3s2)cc1
InChIInChI=1S/C10H7N5OS/c16-6-11-8-3-1-7(2-4-8)9-14-15-5-12-13-10(15)17-9/h1-6H,(H,11,16)
InChIKeyOOSYXLWFKFVPTJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.42
Rot. Bonds3

About N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide

N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide (PubChem CID 168652646) has the molecular formula C10H7N5OS and a molecular weight of 245.27 g/mol. Its IUPAC name is N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide
PubChem CID168652646
Molecular FormulaC10H7N5OS
Molecular Weight245.27 g/mol
Exact Mass245.04
IUPAC NameN-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide
SMILESO=CNc1ccc(-c2nn3cnnc3s2)cc1
InChIInChI=1S/C10H7N5OS/c16-6-11-8-3-1-7(2-4-8)9-14-15-5-12-13-10(15)17-9/h1-6H,(H,11,16)
InChIKeyOOSYXLWFKFVPTJ-UHFFFAOYSA-N
XLogP1.42
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 2989995
2,3,4,5,6-pentafluoro-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17219634
2,5-dichloro-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 4679677
3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzaldehyde
CID 50850384
3-methoxy-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 5162115
N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]butanamide
CID 3793754
3,5-dimethoxy-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl]benzamide
CID 4032843
2-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenoxy]acetic acid
CID 91678950
(1Z)-2-amino-2-imino-N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)anilino]ethanimidoyl cyanide
CID 172978813
4-methyl-N-[[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl]benzamide
CID 17027405
2-chloro-4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)benzonitrile
CID 50850444
6-(4-phenylmethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 91678977

Frequently Asked Questions

What is the IUPAC name of N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide?
The IUPAC name of N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide (CID 168652646) is N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide.
What is the SMILES notation for N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide?
The canonical SMILES for N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide is O=CNc1ccc(-c2nn3cnnc3s2)cc1.
What is the InChIKey of N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide?
The InChIKey is OOSYXLWFKFVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS/c16-6-11-8-3-1-7(2-4-8)9-14-15-5-12-13-10(15)17-9/h1-6H,(H,11,16).
What are the key properties of N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide?
N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide has a molecular weight of 245.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]formamide is sourced from PubChem (CID 168652646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).