5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine

C13H10Cl2N4OS — CID 97058126

IUPAC5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C13H10Cl2N4OS/c1-2-9-10(21-13(16)17-9)12-18-11(19-20-12)6-3-7(14)5-8(15)4-6/h3-5H,2H2,1H3,(H2,16,17)
InChIKeySOPKFSBCTGLEAB-UHFFFAOYSA-N
MW341.22 g/mol
LogP4.31
Rot. Bonds3

About 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine

5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 97058126) has the molecular formula C13H10Cl2N4OS and a molecular weight of 341.22 g/mol. Its IUPAC name is 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID97058126
Molecular FormulaC13H10Cl2N4OS
Molecular Weight341.22 g/mol
Exact Mass340.00
IUPAC Name5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C13H10Cl2N4OS/c1-2-9-10(21-13(16)17-9)12-18-11(19-20-12)6-3-7(14)5-8(15)4-6/h3-5H,2H2,1H3,(H2,16,17)
InChIKeySOPKFSBCTGLEAB-UHFFFAOYSA-N
XLogP4.31
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.22
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-ethyl-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 23010417
4-ethyl-5-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 30029551
ethyl 3-(3,5-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 107917947
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
3-[5-(4-ethylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]aniline
CID 65210064
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548765
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 107917796
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
2-[4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
CID 107917721
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 23010437
5-(3-ethyl-1,2,4-oxadiazol-5-yl)-4-methyl-1,3-thiazol-2-amine
CID 30029519

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine (CID 97058126) is 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine is CCc1nc(N)sc1-c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is SOPKFSBCTGLEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4OS/c1-2-9-10(21-13(16)17-9)12-18-11(19-20-12)6-3-7(14)5-8(15)4-6/h3-5H,2H2,1H3,(H2,16,17).
What are the key properties of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine?
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 341.22 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 97058126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).