2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol

C15H13N3O3S — CID 135585492

IUPAC2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
SMILESCOc1ccc(Nc2nnc(-c3cc(O)ccc3O)s2)cc1
InChIInChI=1S/C15H13N3O3S/c1-21-11-5-2-9(3-6-11)16-15-18-17-14(22-15)12-8-10(19)4-7-13(12)20/h2-8,19-20H,1H3,(H,16,18)
InChIKeyOFWZJVYHRJOOLV-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.37
Rot. Bonds4

About 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol

2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol (PubChem CID 135585492) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
PubChem CID135585492
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC Name2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
SMILESCOc1ccc(Nc2nnc(-c3cc(O)ccc3O)s2)cc1
InChIInChI=1S/C15H13N3O3S/c1-21-11-5-2-9(3-6-11)16-15-18-17-14(22-15)12-8-10(19)4-7-13(12)20/h2-8,19-20H,1H3,(H,16,18)
InChIKeyOFWZJVYHRJOOLV-UHFFFAOYSA-N
XLogP3.37
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
CID 143729327
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
CID 143729312
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
5-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methylsulfanylmethyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 123907368
4-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 136747579
4-chloro-6-[5-(4-fluoroanilino)-1,3,4-thiadiazol-2-yl]benzene-1,3-diol
CID 137210050
3-(4-methoxyanilino)phenol
CID 15574559
2-(4-methoxyanilino)-4,5,7-trimethyl-1,3-benzothiazol-6-ol
CID 14700312
5-[4-(1H-benzimidazol-2-yl)phenyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 171391802
3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-7-methoxychromen-2-one
CID 3623409
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
N-[5-[4-[2-(4-methoxyphenyl)anilino]phenyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 135347326

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol?
The IUPAC name of 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol (CID 135585492) is 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol?
The canonical SMILES for 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol is COc1ccc(Nc2nnc(-c3cc(O)ccc3O)s2)cc1.
What is the InChIKey of 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol?
The InChIKey is OFWZJVYHRJOOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-21-11-5-2-9(3-6-11)16-15-18-17-14(22-15)12-8-10(19)4-7-13(12)20/h2-8,19-20H,1H3,(H,16,18).
What are the key properties of 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol?
2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol has a molecular weight of 315.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol is sourced from PubChem (CID 135585492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).