2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol

C15H10ClN3OS — CID 135439530

IUPAC2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(/N=C/c2ccccc2Cl)s1
InChIInChI=1S/C15H10ClN3OS/c16-12-7-3-1-5-10(12)9-17-15-19-18-14(21-15)11-6-2-4-8-13(11)20/h1-9,20H/b17-9+
InChIKeyOEZHAHQIZLRJFL-RQZCQDPDSA-N
MW315.79 g/mol
LogP4.31
Rot. Bonds3

About 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol

2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 135439530) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol
PubChem CID135439530
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC Name2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(/N=C/c2ccccc2Cl)s1
InChIInChI=1S/C15H10ClN3OS/c16-12-7-3-1-5-10(12)9-17-15-19-18-14(21-15)11-6-2-4-8-13(11)20/h1-9,20H/b17-9+
InChIKeyOEZHAHQIZLRJFL-RQZCQDPDSA-N
XLogP4.31
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 137279187
(E)-N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)methanimine
CID 177385490
(E)-1-(2-chlorophenyl)-N-[5-(pyrazol-1-ylmethyl)-1,3,4-thiadiazol-2-yl]methanimine
CID 10851997
2-bromo-4-[(E)-[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]iminomethyl]-6-methoxyphenol
CID 135503909
3-[5-[(3-fluorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 175939862
2-[(4-chloro-2-nitrophenyl)diazenyl]-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 177451545
4-[5-[(3-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 169094409
2-[2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-6-phenylpyrimidin-4-yl]phenol
CID 135458790
[2-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenyl] 2-methylprop-2-enoate
CID 177450648
1-(2-chlorophenyl)-N-(6-methoxy-4H-indeno[1,2-d][1,3]thiazol-2-yl)methanimine
CID 126054141
2-[(4-nitrophenyl)diazenyl]-6-[(E)-(5-phenyl-1,3,4-thiadiazol-2-yl)iminomethyl]phenol
CID 177487794
(E)-(2-chlorophenyl)methylidenehydrazine;ethane
CID 144988532

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol (CID 135439530) is 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol is Oc1ccccc1-c1nnc(/N=C/c2ccccc2Cl)s1.
What is the InChIKey of 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is OEZHAHQIZLRJFL-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-12-7-3-1-5-10(12)9-17-15-19-18-14(21-15)11-6-2-4-8-13(11)20/h1-9,20H/b17-9+.
What are the key properties of 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol?
2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 315.79 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(E)-(2-chlorophenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 135439530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).