4-(4-bromo-5-methylthiophen-2-yl)thiadiazole

C7H5BrN2S2 — CID 169490498

IUPAC4-(4-bromo-5-methylthiophen-2-yl)thiadiazole
SMILESCc1sc(-c2csnn2)cc1Br
InChIInChI=1S/C7H5BrN2S2/c1-4-5(8)2-7(12-4)6-3-11-10-9-6/h2-3H,1H3
InChIKeyBLPHHMQBCJVPQT-UHFFFAOYSA-N
MW261.17 g/mol
LogP3.34
Rot. Bonds1

About 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole

4-(4-bromo-5-methylthiophen-2-yl)thiadiazole (PubChem CID 169490498) has the molecular formula C7H5BrN2S2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(4-bromo-5-methylthiophen-2-yl)thiadiazole
PubChem CID169490498
Molecular FormulaC7H5BrN2S2
Molecular Weight261.17 g/mol
Exact Mass259.91
IUPAC Name4-(4-bromo-5-methylthiophen-2-yl)thiadiazole
SMILESCc1sc(-c2csnn2)cc1Br
InChIInChI=1S/C7H5BrN2S2/c1-4-5(8)2-7(12-4)6-3-11-10-9-6/h2-3H,1H3
InChIKeyBLPHHMQBCJVPQT-UHFFFAOYSA-N
XLogP3.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-2-methyl-5-(4-methylphenyl)thiophene
CID 101058493
4-(5-chlorothiophen-2-yl)thiadiazole
CID 587020
3-bromo-5-(3,5-difluorophenyl)-2-methylthiophene
CID 71445661
3-(4-bromo-5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-amine
CID 102842233
4-(3-methylphenyl)thiadiazole
CID 59767702
2-[5-[2-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazol-4-yl]thiophen-2-yl]acetic acid
CID 102842084
4-(4-bromo-5-methylthiophen-2-yl)-6,7-difluoro-2H-phthalazin-1-one
CID 102829028
ethyl 2-(4-bromo-5-methylthiophen-2-yl)-5-methyl-1,3-thiazole-4-carboxylate
CID 102842068
methyl 2-bromo-5-(4-bromo-5-methylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 106510273
2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 102843917
[2-(4-bromo-5-methylthiophen-2-yl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 102844248
2-chloro-5-(thiadiazol-4-yl)-1,3,4-thiadiazole
CID 65216358

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole?
The IUPAC name of 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole (CID 169490498) is 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole.
What is the SMILES notation for 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole?
The canonical SMILES for 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole is Cc1sc(-c2csnn2)cc1Br.
What is the InChIKey of 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole?
The InChIKey is BLPHHMQBCJVPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2S2/c1-4-5(8)2-7(12-4)6-3-11-10-9-6/h2-3H,1H3.
What are the key properties of 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole?
4-(4-bromo-5-methylthiophen-2-yl)thiadiazole has a molecular weight of 261.17 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-methylthiophen-2-yl)thiadiazole is sourced from PubChem (CID 169490498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).