5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole

C11H9BrN2OS — CID 102618251

IUPAC5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
SMILESBrc1nc(C2COc3ccccc3C2)ns1
InChIInChI=1S/C11H9BrN2OS/c12-11-13-10(14-16-11)8-5-7-3-1-2-4-9(7)15-6-8/h1-4,8H,5-6H2
InChIKeyMCWWQJZFIIBVLF-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.02
Rot. Bonds1

About 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole

5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole (PubChem CID 102618251) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
PubChem CID102618251
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
SMILESBrc1nc(C2COc3ccccc3C2)ns1
InChIInChI=1S/C11H9BrN2OS/c12-11-13-10(14-16-11)8-5-7-3-1-2-4-9(7)15-6-8/h1-4,8H,5-6H2
InChIKeyMCWWQJZFIIBVLF-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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5-(2-chloroethyl)-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazole
CID 65415288
3-(3,4-dihydro-2H-chromen-3-yl)-5-(oxan-4-yl)-1H-1,2,4-triazole
CID 74232102
5-bromo-2-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzoxazole
CID 163241875
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
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(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
CID 15536179
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
CID 65406387
4-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239500
4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole (CID 102618251) is 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole is Brc1nc(C2COc3ccccc3C2)ns1.
What is the InChIKey of 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole?
The InChIKey is MCWWQJZFIIBVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-11-13-10(14-16-11)8-5-7-3-1-2-4-9(7)15-6-8/h1-4,8H,5-6H2.
What are the key properties of 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole?
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole has a molecular weight of 297.18 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 102618251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).