2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol

C15H13N3O2S — CID 143729327

IUPAC2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nnc(Nc3ccccc3)s2)c1
InChIInChI=1S/C15H13N3O2S/c1-20-11-7-8-13(19)12(9-11)14-17-18-15(21-14)16-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,16,18)
InChIKeyQCVRSLWETPEOGE-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.66
Rot. Bonds4

About 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol

2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol (PubChem CID 143729327) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol.

Molecular Properties

Compound Name2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
PubChem CID143729327
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol
SMILESCOc1ccc(O)c(-c2nnc(Nc3ccccc3)s2)c1
InChIInChI=1S/C15H13N3O2S/c1-20-11-7-8-13(19)12(9-11)14-17-18-15(21-14)16-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,16,18)
InChIKeyQCVRSLWETPEOGE-UHFFFAOYSA-N
XLogP3.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol 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-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol
CID 135585492
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-bromophenol
CID 143729312
5-[(2,5-dimethoxyphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 8848932
5-(3-fluoro-4-methoxyphenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 156770986
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
2-(4-methoxyanilino)-5-[(5-methoxy-2-phenylindol-3-ylidene)methyl]-1,3-thiazol-4-ol
CID 137107291
1-(4-methoxyphenyl)-3-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075797
4-[2-(5-anilino-1,3,4-thiadiazol-2-yl)phenoxy]-N-methyl-N-phenylbenzamide
CID 24961935
2-[[5-[4-[bis(1H-indol-3-yl)methyl]phenyl]-1,3,4-thiadiazol-2-yl]amino]-4-methoxyphenol
CID 138757279
2-(2,4-diaminophenyl)-4-methoxyphenol
CID 22061985
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-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol?
The IUPAC name of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol (CID 143729327) is 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol.
What is the SMILES notation for 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol?
The canonical SMILES for 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol is COc1ccc(O)c(-c2nnc(Nc3ccccc3)s2)c1.
What is the InChIKey of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol?
The InChIKey is QCVRSLWETPEOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-20-11-7-8-13(19)12(9-11)14-17-18-15(21-14)16-10-5-3-2-4-6-10/h2-9,19H,1H3,(H,16,18).
What are the key properties of 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol?
2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol has a molecular weight of 299.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-1,3,4-thiadiazol-2-yl)-4-methoxyphenol is sourced from PubChem (CID 143729327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).