2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole

C6H2ClIN2OS — CID 114770866

IUPAC2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
SMILESClc1nnc(-c2csc(I)c2)o1
InChIInChI=1S/C6H2ClIN2OS/c7-6-10-9-5(11-6)3-1-4(8)12-2-3/h1-2H
InChIKeyYHHOVEXNNUCGIZ-UHFFFAOYSA-N
MW312.52 g/mol
LogP3.06
Rot. Bonds1

About 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole

2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole (PubChem CID 114770866) has the molecular formula C6H2ClIN2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
PubChem CID114770866
Molecular FormulaC6H2ClIN2OS
Molecular Weight312.52 g/mol
Exact Mass311.86
IUPAC Name2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
SMILESClc1nnc(-c2csc(I)c2)o1
InChIInChI=1S/C6H2ClIN2OS/c7-6-10-9-5(11-6)3-1-4(8)12-2-3/h1-2H
InChIKeyYHHOVEXNNUCGIZ-UHFFFAOYSA-N
XLogP3.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 53.06
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-bromo-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole
CID 114771246
2-(5-bromofuran-3-yl)-5-chloro-1,3,4-oxadiazole
CID 130767613
2-chloro-5-(4-chloro-3-fluorophenyl)-1,3,4-oxadiazole
CID 107996197
2-chloro-5-(5-fluoro-3-pyridinyl)-1,3,4-oxadiazole
CID 114770928
2-chloro-5-(4-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 130778751
3-ethyl-5-(5-iodothiophen-3-yl)-1,2,4-oxadiazole
CID 130735503
2-chloro-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 82367352
2-(3-bromo-4-fluorophenyl)-5-chloro-1,3,4-oxadiazole
CID 107952886
2-chloro-5-(3-methyl-1,2-oxazol-5-yl)-1,3,4-oxadiazole
CID 114770814
N-(3-chlorophenyl)-4-(5-ethyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53127273
2-chloro-5-(3-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 114770919
4-(2-chlorophenyl)-3-(5-iodothiophen-3-yl)-1,2-oxazol-5-amine
CID 79692890

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole (CID 114770866) is 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole is Clc1nnc(-c2csc(I)c2)o1.
What is the InChIKey of 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
The InChIKey is YHHOVEXNNUCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClIN2OS/c7-6-10-9-5(11-6)3-1-4(8)12-2-3/h1-2H.
What are the key properties of 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole?
2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole has a molecular weight of 312.52 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5-iodothiophen-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114770866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).