2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole

C8H7BrN2S2 — CID 63384084

IUPAC2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCCc1ccc(-c2nnc(Br)s2)s1
InChIInChI=1S/C8H7BrN2S2/c1-2-5-3-4-6(12-5)7-10-11-8(9)13-7/h3-4H,2H2,1H3
InChIKeyZFGPXRKVFIZNDZ-UHFFFAOYSA-N
MW275.20 g/mol
LogP3.59
Rot. Bonds2

About 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole

2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole (PubChem CID 63384084) has the molecular formula C8H7BrN2S2 and a molecular weight of 275.20 g/mol. Its IUPAC name is 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole
PubChem CID63384084
Molecular FormulaC8H7BrN2S2
Molecular Weight275.20 g/mol
Exact Mass273.92
IUPAC Name2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole
SMILESCCc1ccc(-c2nnc(Br)s2)s1
InChIInChI=1S/C8H7BrN2S2/c1-2-5-3-4-6(12-5)7-10-11-8(9)13-7/h3-4H,2H2,1H3
InChIKeyZFGPXRKVFIZNDZ-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-diethylthiophene
CID 521294
1-[2-(5-ethylthiophen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62318685
2-(5-ethylthiophen-2-yl)-1,3-thiazole-5-carbaldehyde
CID 62318682
3-(5-ethylthiophen-2-yl)-4-methyl-1,2,4-triazole
CID 115395259
ethane;2-ethyl-5-(2-propylphenyl)thiophene
CID 164918955
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
bis[[5-[5-[5-(5-ethylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-dimethylsilyl]-dimethylsilane
CID 101433570
2-(5-bromothiophen-2-yl)-5-chloro-1,3,4-thiadiazole
CID 63386076
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
1-[2-(5-ethylthiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 62320903
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
4-(5-ethylthiophen-2-yl)-7-(5-methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 169075394

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole (CID 63384084) is 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole is CCc1ccc(-c2nnc(Br)s2)s1.
What is the InChIKey of 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole?
The InChIKey is ZFGPXRKVFIZNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S2/c1-2-5-3-4-6(12-5)7-10-11-8(9)13-7/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole?
2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole has a molecular weight of 275.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-ethylthiophen-2-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 63384084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).