3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole

C11H9BrN2S — CID 102943367

IUPAC3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole
SMILESBrc1nsc(C2CC2c2ccccc2)n1
InChIInChI=1S/C11H9BrN2S/c12-11-13-10(15-14-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyVQFAALQBCBMBNA-UHFFFAOYSA-N
MW281.18 g/mol
LogP3.57
Rot. Bonds2

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

3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole (PubChem CID 102943367) has the molecular formula C11H9BrN2S and a molecular weight of 281.18 g/mol. Its IUPAC name is 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole
PubChem CID102943367
Molecular FormulaC11H9BrN2S
Molecular Weight281.18 g/mol
Exact Mass279.97
IUPAC Name3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole
SMILESBrc1nsc(C2CC2c2ccccc2)n1
InChIInChI=1S/C11H9BrN2S/c12-11-13-10(15-14-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2
InChIKeyVQFAALQBCBMBNA-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine
CID 58955597
1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
6-bromo-2-(2-phenylcyclopropyl)-1H-imidazo[4,5-b]pyridine
CID 23025701
cis-(1R,2R)-2-phenylcyclopropan-1-amine;cis-(1S,2S)-2-phenylcyclopropan-1-amine;dihydrochloride
CID 76967138
methyl 5-amino-2-(2-phenylcyclopropyl)-1,3-thiazole-4-carboxylate
CID 103199626
molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole
CID 145111128
4-[(1R,2S)-2-phenylcyclopropyl]benzoic acid
CID 138543180
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
1-[4-[(1R,2S)-2-phenylcyclopropyl]phenyl]ethanone
CID 10561809
1-nitro-4-[(1R,2R)-2-phenylcyclopropyl]benzene
CID 15891688

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole (CID 102943367) is 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole is Brc1nsc(C2CC2c2ccccc2)n1.
What is the InChIKey of 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole?
The InChIKey is VQFAALQBCBMBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2S/c12-11-13-10(15-14-11)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2.
What are the key properties of 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole?
3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole has a molecular weight of 281.18 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 102943367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).