2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole

C10H9IN2O2S — CID 63383412

IUPAC2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(-c2nnc(I)s2)c1
InChIInChI=1S/C10H9IN2O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3
InChIKeyLGEHNFBIHBIXHX-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.83
Rot. Bonds3

About 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole

2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole (PubChem CID 63383412) has the molecular formula C10H9IN2O2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
PubChem CID63383412
Molecular FormulaC10H9IN2O2S
Molecular Weight348.17 g/mol
Exact Mass347.94
IUPAC Name2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole
SMILESCOc1ccc(OC)c(-c2nnc(I)s2)c1
InChIInChI=1S/C10H9IN2O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3
InChIKeyLGEHNFBIHBIXHX-UHFFFAOYSA-N
XLogP2.83
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethoxyphenyl)-5-methoxy-4-methyl-1,3-thiazole
CID 116887517
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-chloro-5-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazole
CID 63386396
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(2,5-dimethoxyphenyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 45377912
2-(2,5-dimethoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 82424538
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanethiol
CID 82430342
[2-(2,5-dimethoxyphenyl)-1,3-thiazol-4-yl]methanol
CID 39354147
2-(2,5-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carbonitrile
CID 82435118
[2-(2,5-dimethoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 82430343
2-(5-bromo-2-methoxyphenyl)-4-(2,4-dimethoxyphenyl)-5-methyl-1,3-thiazole
CID 112769638
N-[[2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82427321

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole (CID 63383412) is 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole is COc1ccc(OC)c(-c2nnc(I)s2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is LGEHNFBIHBIXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2S/c1-14-6-3-4-8(15-2)7(5-6)9-12-13-10(11)16-9/h3-5H,1-2H3.
What are the key properties of 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole?
2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 348.17 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 63383412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).