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

C9H8BrFN2S2 — CID 130594461

IUPAC2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
SMILESCCC(Br)c1nnc(-c2sccc2F)s1
InChIInChI=1S/C9H8BrFN2S2/c1-2-5(10)8-12-13-9(15-8)7-6(11)3-4-14-7/h3-5H,2H2,1H3
InChIKeyBCIJERGZXGVEAD-UHFFFAOYSA-N
MW307.21 g/mol
LogP4.25
Rot. Bonds3

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

2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 130594461) has the molecular formula C9H8BrFN2S2 and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
PubChem CID130594461
Molecular FormulaC9H8BrFN2S2
Molecular Weight307.21 g/mol
Exact Mass305.93
IUPAC Name2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
SMILESCCC(Br)c1nnc(-c2sccc2F)s1
InChIInChI=1S/C9H8BrFN2S2/c1-2-5(10)8-12-13-9(15-8)7-6(11)3-4-14-7/h3-5H,2H2,1H3
InChIKeyBCIJERGZXGVEAD-UHFFFAOYSA-N
XLogP4.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 54.25
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-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-Chloroethyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole
CID 130594459
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-Methyl-5-(5-methylthiophen-2-yl)-1,3,4-thiadiazole
CID 23543706
2-Pentyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 70520238
2-Methyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 70637289
2-Ethyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 101460114
2-Hexylsulfanyl-5-thiophen-2-yl-1,3,4-thiadiazole
CID 156178345

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole (CID 130594461) is 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole is CCC(Br)c1nnc(-c2sccc2F)s1.
What is the InChIKey of 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is BCIJERGZXGVEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2S2/c1-2-5(10)8-12-13-9(15-8)7-6(11)3-4-14-7/h3-5H,2H2,1H3.
What are the key properties of 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole?
2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 307.21 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-(3-fluorothiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 130594461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).