2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole

C8H7IN2OS — CID 114771810

IUPAC2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
SMILESCCc1ccsc1-c1nnc(I)o1
InChIInChI=1S/C8H7IN2OS/c1-2-5-3-4-13-6(5)7-10-11-8(9)12-7/h3-4H,2H2,1H3
InChIKeyKFWGFFPEELNIEH-UHFFFAOYSA-N
MW306.13 g/mol
LogP2.97
Rot. Bonds2

About 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole

2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole (PubChem CID 114771810) has the molecular formula C8H7IN2OS and a molecular weight of 306.13 g/mol. Its IUPAC name is 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
PubChem CID114771810
Molecular FormulaC8H7IN2OS
Molecular Weight306.13 g/mol
Exact Mass305.93
IUPAC Name2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
SMILESCCc1ccsc1-c1nnc(I)o1
InChIInChI=1S/C8H7IN2OS/c1-2-5-3-4-13-6(5)7-10-11-8(9)12-7/h3-4H,2H2,1H3
InChIKeyKFWGFFPEELNIEH-UHFFFAOYSA-N
XLogP2.97
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771758
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 79975488
2-(2-bromothiophen-3-yl)-5-iodo-1,3,4-oxadiazole
CID 164653970
N-[[2-(3-ethylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79975719
2-amino-2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633282
1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 79975398
4-(3-ethylthiophen-2-yl)pyridazine
CID 171520298
5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 78953697
4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 79975619
ethyl 5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112619254
4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79976164

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole (CID 114771810) is 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole is CCc1ccsc1-c1nnc(I)o1.
What is the InChIKey of 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is KFWGFFPEELNIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2OS/c1-2-5-3-4-13-6(5)7-10-11-8(9)12-7/h3-4H,2H2,1H3.
What are the key properties of 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 306.13 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 114771810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).