[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride

C15H14ClN3S — CID 139059637

IUPAC[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1nnc(-c2ccccc2-c2ccccc2)s1
InChIInChI=1S/C15H13N3S.ClH/c16-10-14-17-18-15(19-14)13-9-5-4-8-12(13)11-6-2-1-3-7-11;/h1-9H,10,16H2;1H
InChIKeyAFFAHMNYDZIEBS-UHFFFAOYSA-N
MW303.82 g/mol
LogP-0.38
Rot. Bonds3

About [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride

[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride (PubChem CID 139059637) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride.

Molecular Properties

Compound Name[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride
PubChem CID139059637
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC Name[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride
SMILES[Cl-].[NH3+]Cc1nnc(-c2ccccc2-c2ccccc2)s1
InChIInChI=1S/C15H13N3S.ClH/c16-10-14-17-18-15(19-14)13-9-5-4-8-12(13)11-6-2-1-3-7-11;/h1-9H,10,16H2;1H
InChIKeyAFFAHMNYDZIEBS-UHFFFAOYSA-N
XLogP-0.38
TPSA53.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,4-Thiadiazole, 2,5-diphenyl-
CID 15080
1,3,4-Thiadiazole, 2-(1,1'-biphenyl-2-yl)-5-(4,5-dihydro-1H-imidazol-2-yl)-
CID 3066650
[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684143
2-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684145
3-(5-(2-Biphenylyl)-1,3,4-thiadiazol-2-yl)propanamine
CID 13684147
(5-Phenyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 71756124
1-[5-(2-Phenylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 13684149
[5-[(2-Phenylphenyl)methyl]-1,3,4-thiadiazol-2-yl]methanamine
CID 13684151
(5-Benzyl-1,3,4-thiadiazol-2-yl)methanamine
CID 13684153
N-methyl-1-(5-phenyl-1,3,4-thiadiazol-2-yl)methanamine
CID 13684157
N-methyl-1-[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684159
N,N-dimethyl-1-[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methanamine
CID 13684161

Frequently Asked Questions

What is the IUPAC name of [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride?
The IUPAC name of [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride (CID 139059637) is [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride.
What is the SMILES notation for [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride?
The canonical SMILES for [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride is [Cl-].[NH3+]Cc1nnc(-c2ccccc2-c2ccccc2)s1.
What is the InChIKey of [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride?
The InChIKey is AFFAHMNYDZIEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S.ClH/c16-10-14-17-18-15(19-14)13-9-5-4-8-12(13)11-6-2-1-3-7-11;/h1-9H,10,16H2;1H.
What are the key properties of [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride?
[5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride has a molecular weight of 303.82 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-phenylphenyl)-1,3,4-thiadiazol-2-yl]methylazanium chloride is sourced from PubChem (CID 139059637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).