2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole

C9H7IN2OS — CID 130052710

IUPAC2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nncs2)cc1I
InChIInChI=1S/C9H7IN2OS/c1-13-8-3-2-6(4-7(8)10)9-12-11-5-14-9/h2-5H,1H3
InChIKeyGMJXNPPWFYUXLQ-UHFFFAOYSA-N
MW318.14 g/mol
LogP2.82
Rot. Bonds2

About 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole

2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole (PubChem CID 130052710) has the molecular formula C9H7IN2OS and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole
PubChem CID130052710
Molecular FormulaC9H7IN2OS
Molecular Weight318.14 g/mol
Exact Mass317.93
IUPAC Name2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole
SMILESCOc1ccc(-c2nncs2)cc1I
InChIInChI=1S/C9H7IN2OS/c1-13-8-3-2-6(4-7(8)10)9-12-11-5-14-9/h2-5H,1H3
InChIKeyGMJXNPPWFYUXLQ-UHFFFAOYSA-N
XLogP2.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 52.82
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-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazole
CID 141080417
2-iodo-4-(3-iodo-4-methoxyphenyl)-1-methoxybenzene
CID 14778921
5-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 130052804
2-(3-methoxy-4-nitrophenyl)-1,3,4-thiadiazole
CID 175603855
2-(3-iodo-2-methoxyphenyl)-1,3,4-thiadiazole
CID 130052517
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-(2,3-dihydro-1H-isoindol-5-yl)-1,3,4-thiadiazole
CID 166525819
2-(3-fluorophenyl)-1,3,4-thiadiazole
CID 130052469
2-[4-(bromomethyl)phenyl]-1,3,4-thiadiazole
CID 86094021
2-(4-bromo-2-methoxyphenoxy)-1,3,4-thiadiazole
CID 130562818
2-(3,4-dimethoxyphenyl)-4-iodopyridine
CID 138723153
2-iodo-4-[(3-iodo-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 139881431

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole (CID 130052710) is 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole is COc1ccc(-c2nncs2)cc1I.
What is the InChIKey of 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole?
The InChIKey is GMJXNPPWFYUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2OS/c1-13-8-3-2-6(4-7(8)10)9-12-11-5-14-9/h2-5H,1H3.
What are the key properties of 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole?
2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole has a molecular weight of 318.14 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodo-4-methoxyphenyl)-1,3,4-thiadiazole is sourced from PubChem (CID 130052710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).