2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole

C9H6N4S — CID 24942095

IUPAC2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole
SMILES[N-]=[N+]=Cc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H6N4S/c10-11-6-8-12-13-9(14-8)7-4-2-1-3-5-7/h1-6H
InChIKeyGIMVHAPZQKXPGZ-UHFFFAOYSA-N
MW202.24 g/mol
LogP1.85
Rot. Bonds2

About 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole

2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole (PubChem CID 24942095) has the molecular formula C9H6N4S and a molecular weight of 202.24 g/mol. Its IUPAC name is 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole
PubChem CID24942095
Molecular FormulaC9H6N4S
Molecular Weight202.24 g/mol
Exact Mass202.03
IUPAC Name2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole
SMILES[N-]=[N+]=Cc1nnc(-c2ccccc2)s1
InChIInChI=1S/C9H6N4S/c10-11-6-8-12-13-9(14-8)7-4-2-1-3-5-7/h1-6H
InChIKeyGIMVHAPZQKXPGZ-UHFFFAOYSA-N
XLogP1.85
TPSA62.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,5-diphenyl-1,3,4-thiadiazole;ethane
CID 91287482
2,5-bis(4-phenylphenyl)-1,3,4-thiadiazole
CID 122206222
ethane;2-phenyl-5-(4-phenylphenyl)-1,3,4-thiadiazole
CID 145125829
2-tert-butyl-5-phenyl-1,3,4-thiadiazole
CID 58088024
N,N-dimethyl-1-[4-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]methanamine
CID 59953851
2-ethynyl-5-phenyl-1,3,4-thiadiazole
CID 130778477
(E)-1-(4-methylphenyl)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)methanimine
CID 12690429
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
2,5-bis(4-methylphenyl)-1,3,4-thiadiazole
CID 12680531
bis(diazomethylbenzene);hydrate
CID 21319266
2-(2,5-dimethylphenyl)-5-phenyl-1,3,4-thiadiazole;ethane
CID 91493017
1,1'-biphenyl azide
CID 18790861

Frequently Asked Questions

What is the IUPAC name of 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole?
The IUPAC name of 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole (CID 24942095) is 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole is [N-]=[N+]=Cc1nnc(-c2ccccc2)s1.
What is the InChIKey of 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole?
The InChIKey is GIMVHAPZQKXPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4S/c10-11-6-8-12-13-9(14-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole?
2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole has a molecular weight of 202.24 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diazomethyl)-5-phenyl-1,3,4-thiadiazole is sourced from PubChem (CID 24942095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).