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

C7H4ClIN2OS — CID 103407386

IUPAC2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
SMILESCc1csc(-c2nnc(I)o2)c1Cl
InChIInChI=1S/C7H4ClIN2OS/c1-3-2-13-5(4(3)8)6-10-11-7(9)12-6/h2H,1H3
InChIKeyDGVKOJNFCCANLH-UHFFFAOYSA-N
MW326.55 g/mol
LogP3.36
Rot. Bonds1

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

2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole (PubChem CID 103407386) has the molecular formula C7H4ClIN2OS and a molecular weight of 326.55 g/mol. Its IUPAC name is 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
PubChem CID103407386
Molecular FormulaC7H4ClIN2OS
Molecular Weight326.55 g/mol
Exact Mass325.88
IUPAC Name2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
SMILESCc1csc(-c2nnc(I)o2)c1Cl
InChIInChI=1S/C7H4ClIN2OS/c1-3-2-13-5(4(3)8)6-10-11-7(9)12-6/h2H,1H3
InChIKeyDGVKOJNFCCANLH-UHFFFAOYSA-N
XLogP3.36
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole 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

1-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 103405529
2-(3-iodo-4-methylthiophen-2-yl)-5-methyl-1,3,4-oxadiazole
CID 126993668
4-(chloromethyl)-2-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazole
CID 103404233
2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771810
2-(3-bromothiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771758
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
2-(chloromethyl)-5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 103406706
2-(3-chloro-5-methylphenyl)-5-iodo-1,3,4-oxadiazole
CID 114771652
5-(3-chloro-4-methylthiophen-2-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
CID 103400498
1-[5-(3-chloro-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 103405255
[5-(3-chloro-4-methylthiophen-2-yl)-1,3-oxazol-4-yl]methanamine
CID 103407154
3-(3-chloro-4-methylthiophen-2-yl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 103402471

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole (CID 103407386) is 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole is Cc1csc(-c2nnc(I)o2)c1Cl.
What is the InChIKey of 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
The InChIKey is DGVKOJNFCCANLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIN2OS/c1-3-2-13-5(4(3)8)6-10-11-7(9)12-6/h2H,1H3.
What are the key properties of 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole?
2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole has a molecular weight of 326.55 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole is sourced from PubChem (CID 103407386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).