4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol

C15H12N4OS — CID 137088957

IUPAC4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol
SMILESNc1nnc(-c2cccc(/N=C/c3ccc(O)cc3)c2)s1
InChIInChI=1S/C15H12N4OS/c16-15-19-18-14(21-15)11-2-1-3-12(8-11)17-9-10-4-6-13(20)7-5-10/h1-9,20H,(H2,16,19)/b17-9+
InChIKeyWJSHZCLVWXKIQE-RQZCQDPDSA-N
MW296.36 g/mol
LogP3.24
Rot. Bonds3

About 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol

4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol (PubChem CID 137088957) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol
PubChem CID137088957
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol
SMILESNc1nnc(-c2cccc(/N=C/c3ccc(O)cc3)c2)s1
InChIInChI=1S/C15H12N4OS/c16-15-19-18-14(21-15)11-2-1-3-12(8-11)17-9-10-4-6-13(20)7-5-10/h1-9,20H,(H2,16,19)/b17-9+
InChIKeyWJSHZCLVWXKIQE-RQZCQDPDSA-N
XLogP3.24
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[(4-hydroxyphenyl)methylideneamino]-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 169094408
4-[(3-bromophenyl)iminomethyl]phenol
CID 868394
4-[(3-chlorophenyl)iminomethyl]phenol
CID 4592750
N-hydroxy-3-[(4-hydroxyphenyl)methylideneamino]benzeneamine oxide
CID 135801223
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080
4-[[4-(4-aminophenyl)phenyl]iminomethyl]phenol
CID 136697386
[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]thiourea
CID 87683269
N-[3-(1,3-benzothiazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 15995520
5-(3-phenoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 4616762
4-[(3-phenylphenyl)methylideneamino]phenol
CID 4862070
N,1-bis(3-phenylphenyl)methanimine
CID 141288310
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 135597825

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol?
The IUPAC name of 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol (CID 137088957) is 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol?
The canonical SMILES for 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol is Nc1nnc(-c2cccc(/N=C/c3ccc(O)cc3)c2)s1.
What is the InChIKey of 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol?
The InChIKey is WJSHZCLVWXKIQE-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H12N4OS/c16-15-19-18-14(21-15)11-2-1-3-12(8-11)17-9-10-4-6-13(20)7-5-10/h1-9,20H,(H2,16,19)/b17-9+.
What are the key properties of 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol?
4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol has a molecular weight of 296.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-amino-1,3,4-thiadiazol-2-yl)phenyl]iminomethyl]phenol is sourced from PubChem (CID 137088957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).