2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole

C6H2FIN2S2 — CID 130594415

IUPAC2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole
SMILESFc1ccsc1-c1nnc(I)s1
InChIInChI=1S/C6H2FIN2S2/c7-3-1-2-11-4(3)5-9-10-6(8)12-5/h1-2H
InChIKeyGNFZCTSQWCVSOW-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.01
Rot. Bonds1

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

2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole (PubChem CID 130594415) has the molecular formula C6H2FIN2S2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole
PubChem CID130594415
Molecular FormulaC6H2FIN2S2
Molecular Weight312.13 g/mol
Exact Mass311.87
IUPAC Name2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole
SMILESFc1ccsc1-c1nnc(I)s1
InChIInChI=1S/C6H2FIN2S2/c7-3-1-2-11-4(3)5-9-10-6(8)12-5/h1-2H
InChIKeyGNFZCTSQWCVSOW-UHFFFAOYSA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.01
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

2,5-Di(2-thienyl)-1,3,4-thiadiazole
CID 2750959
2-(Difluoromethylsulfanyl)-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 17802268
2-Difluoromethylthio-5-thienyl-1,3,4-thiadiazole
CID 20025621
2-Thiophen-2-yl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 66646630
2-Propyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 130650382
2-Chloro-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594413
2-(1-Chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594459
2-(1-Bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594461
2-[5-(3-Fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 130594464
2-Methylsulfanyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 292715
2-Chloro-5-thiophen-2-yl-1,3,4-thiadiazole
CID 14091186
2-Propargylthio-5-thien-2-yl-1,3,4-thiadiazole
CID 20025630

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole (CID 130594415) is 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole is Fc1ccsc1-c1nnc(I)s1.
What is the InChIKey of 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is GNFZCTSQWCVSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2FIN2S2/c7-3-1-2-11-4(3)5-9-10-6(8)12-5/h1-2H.
What are the key properties of 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole?
2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 312.13 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 130594415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).