5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

C12H9N3O2S2 — CID 82424186

IUPAC5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccccc1-c1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C12H9N3O2S2/c1-16-8-5-3-2-4-7(8)11-13-6-9(19-11)10-14-15-12(18)17-10/h2-6H,1H3,(H,15,18)
InChIKeyNIHGHHBGFQEXFI-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.53
Rot. Bonds3

About 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione

5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82424186) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82424186
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCOc1ccccc1-c1ncc(-c2n[nH]c(=S)o2)s1
InChIInChI=1S/C12H9N3O2S2/c1-16-8-5-3-2-4-7(8)11-13-6-9(19-11)10-14-15-12(18)17-10/h2-6H,1H3,(H,15,18)
InChIKeyNIHGHHBGFQEXFI-UHFFFAOYSA-N
XLogP3.53
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione 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

5-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82514693
5-[3-(2-methoxyphenyl)phenyl]-3H-1,3,4-oxadiazole-2-thione
CID 46946283
5-(2-propan-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82514655
5-[1-(2-methoxyphenyl)-5-methylpyrazol-4-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82527988
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091894
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-N-methylpropan-1-amine
CID 115091896
3-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82303207
5-[2-(2-methoxyphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 82291621
5-(2-chloro-3-prop-2-ynoxyphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 139557979
[2-(2-ethoxy-3-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82191248
2-(2-methoxyphenyl)-5-[[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 95724370
1-[4-(2-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 105423244

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82424186) is 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is COc1ccccc1-c1ncc(-c2n[nH]c(=S)o2)s1.
What is the InChIKey of 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is NIHGHHBGFQEXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c1-16-8-5-3-2-4-7(8)11-13-6-9(19-11)10-14-15-12(18)17-10/h2-6H,1H3,(H,15,18).
What are the key properties of 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 291.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82424186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).