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

C14H13N3OS2 — CID 82428626

IUPAC5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCc1nc(-c2cccc(C)c2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C14H13N3OS2/c1-3-10-11(12-16-17-14(19)18-12)20-13(15-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyIKOXWCRNZKDJHN-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.39
Rot. Bonds3

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

5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (PubChem CID 82428626) has the molecular formula C14H13N3OS2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.

Molecular Properties

Compound Name5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
PubChem CID82428626
Molecular FormulaC14H13N3OS2
Molecular Weight303.41 g/mol
Exact Mass303.05
IUPAC Name5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
SMILESCCc1nc(-c2cccc(C)c2)sc1-c1n[nH]c(=S)o1
InChIInChI=1S/C14H13N3OS2/c1-3-10-11(12-16-17-14(19)18-12)20-13(15-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,17,19)
InChIKeyIKOXWCRNZKDJHN-UHFFFAOYSA-N
XLogP4.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[4-ethyl-2-(3-methylphenyl)-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-[4-ethyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82428596
5-(4-propyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-3H-1,3,4-oxadiazole-2-thione
CID 82432787
[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]methanol
CID 82428598
4-ethyl-2-(3-methylphenyl)-1,3-thiazole-5-carbothioamide
CID 82428610
2-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82428618
[2-(3-methylphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64716446
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
5-[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82425807
2-(methylamino)-6-(3-methylphenyl)-1,3,5-thiadiazine-4-thione
CID 13356050
5-(3-phenylphenyl)-3H-1,3,4-oxadiazole-2-thione
CID 12602645
3-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 82430286
5-[2-(ethylsulfanylmethyl)-4-propyl-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione
CID 82432111

Frequently Asked Questions

What is the IUPAC name of 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The IUPAC name of 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione (CID 82428626) is 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione.
What is the SMILES notation for 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The canonical SMILES for 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is CCc1nc(-c2cccc(C)c2)sc1-c1n[nH]c(=S)o1.
What is the InChIKey of 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
The InChIKey is IKOXWCRNZKDJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS2/c1-3-10-11(12-16-17-14(19)18-12)20-13(15-10)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3,(H,17,19).
What are the key properties of 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione?
5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione has a molecular weight of 303.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]-3H-1,3,4-oxadiazole-2-thione is sourced from PubChem (CID 82428626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).