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

C8H6ClFN2S2 — CID 130594459

IUPAC2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
SMILESCC(Cl)c1nnc(-c2sccc2F)s1
InChIInChI=1S/C8H6ClFN2S2/c1-4(9)7-11-12-8(14-7)6-5(10)2-3-13-6/h2-4H,1H3
InChIKeyFVTFBAFBSBEIAB-UHFFFAOYSA-N
MW248.74 g/mol
LogP3.71
Rot. Bonds2

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

2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 130594459) has the molecular formula C8H6ClFN2S2 and a molecular weight of 248.74 g/mol. Its IUPAC name is 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
PubChem CID130594459
Molecular FormulaC8H6ClFN2S2
Molecular Weight248.74 g/mol
Exact Mass247.96
IUPAC Name2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
SMILESCC(Cl)c1nnc(-c2sccc2F)s1
InChIInChI=1S/C8H6ClFN2S2/c1-4(9)7-11-12-8(14-7)6-5(10)2-3-13-6/h2-4H,1H3
InChIKeyFVTFBAFBSBEIAB-UHFFFAOYSA-N
XLogP3.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(3-Fluorothiophen-2-yl)-5-iodo-1,3,4-thiadiazole
CID 130594415
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
1-[5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 130594465
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-Methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 23543706

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole (CID 130594459) is 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole is CC(Cl)c1nnc(-c2sccc2F)s1.
What is the InChIKey of 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is FVTFBAFBSBEIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN2S2/c1-4(9)7-11-12-8(14-7)6-5(10)2-3-13-6/h2-4H,1H3.
What are the key properties of 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 248.74 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 130594459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).