5-(1-bromoethyl)-4-methylthiadiazole

C5H7BrN2S — CID 12679020

IUPAC5-(1-bromoethyl)-4-methylthiadiazole
SMILESCc1nnsc1C(C)Br
InChIInChI=1S/C5H7BrN2S/c1-3(6)5-4(2)7-8-9-5/h3H,1-2H3
InChIKeyVZGGITJMDGUMAX-UHFFFAOYSA-N
MW207.10 g/mol
LogP2.30
Rot. Bonds1

About 5-(1-bromoethyl)-4-methylthiadiazole

5-(1-bromoethyl)-4-methylthiadiazole (PubChem CID 12679020) has the molecular formula C5H7BrN2S and a molecular weight of 207.10 g/mol. Its IUPAC name is 5-(1-bromoethyl)-4-methylthiadiazole.

Molecular Properties

Compound Name5-(1-bromoethyl)-4-methylthiadiazole
PubChem CID12679020
Molecular FormulaC5H7BrN2S
Molecular Weight207.10 g/mol
Exact Mass205.95
IUPAC Name5-(1-bromoethyl)-4-methylthiadiazole
SMILESCc1nnsc1C(C)Br
InChIInChI=1S/C5H7BrN2S/c1-3(6)5-4(2)7-8-9-5/h3H,1-2H3
InChIKeyVZGGITJMDGUMAX-UHFFFAOYSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-5-(fluoromethyl)thiadiazole
CID 141237802
5-Ethyl-4-(fluoromethyl)thiadiazole
CID 141237842
5-Ethyl-4-methylthiadiazole
CID 12679017
5-(1-Bromoethyl)-4-(difluoromethyl)-1,2,3-thiadiazole
CID 165791852
4-Ethyl-5-methylthiadiazole
CID 12679016
5-(Bromomethyl)-4-ethylthiadiazole
CID 65210103
4,5-Diethylthiadiazole
CID 90298396
5-(1-Iodoethyl)-4-methylthiadiazole
CID 126703805
5-(2-Bromoethyl)-4-methylthiadiazole
CID 130892943
5-Ethyl-4-(iodomethyl)thiadiazole
CID 141237839
4-(Bromomethyl)-5-ethylthiadiazole
CID 141237846
4-(2-Bromoethyl)-5-ethylthiadiazole
CID 174606360

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromoethyl)-4-methylthiadiazole?
The IUPAC name of 5-(1-bromoethyl)-4-methylthiadiazole (CID 12679020) is 5-(1-bromoethyl)-4-methylthiadiazole.
What is the SMILES notation for 5-(1-bromoethyl)-4-methylthiadiazole?
The canonical SMILES for 5-(1-bromoethyl)-4-methylthiadiazole is Cc1nnsc1C(C)Br.
What is the InChIKey of 5-(1-bromoethyl)-4-methylthiadiazole?
The InChIKey is VZGGITJMDGUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2S/c1-3(6)5-4(2)7-8-9-5/h3H,1-2H3.
What are the key properties of 5-(1-bromoethyl)-4-methylthiadiazole?
5-(1-bromoethyl)-4-methylthiadiazole has a molecular weight of 207.10 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromoethyl)-4-methylthiadiazole is sourced from PubChem (CID 12679020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).