N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine

C11H8BrF2N3S — CID 166292133

IUPACN-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine
SMILESFC1(F)Cc2c(Br)cccc2C1Nc1ncns1
InChIInChI=1S/C11H8BrF2N3S/c12-8-3-1-2-6-7(8)4-11(13,14)9(6)17-10-15-5-16-18-10/h1-3,5,9H,4H2,(H,15,16,17)
InChIKeyZCJKABFDGURPIT-UHFFFAOYSA-N
MW332.17 g/mol
LogP3.65
Rot. Bonds2

About N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine

N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 166292133) has the molecular formula C11H8BrF2N3S and a molecular weight of 332.17 g/mol. Its IUPAC name is N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine
PubChem CID166292133
Molecular FormulaC11H8BrF2N3S
Molecular Weight332.17 g/mol
Exact Mass330.96
IUPAC NameN-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine
SMILESFC1(F)Cc2c(Br)cccc2C1Nc1ncns1
InChIInChI=1S/C11H8BrF2N3S/c12-8-3-1-2-6-7(8)4-11(13,14)9(6)17-10-15-5-16-18-10/h1-3,5,9H,4H2,(H,15,16,17)
InChIKeyZCJKABFDGURPIT-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,4-thiadiazol-5-amine
CID 176357602
N-[(2-bromo-5-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271420
N-[(5-bromo-2-fluorophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65276486
N-[1-(3-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65271359
N-[(3-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277043
N-[(2-bromophenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 65277157
N-[(5-bromo-2-methylphenyl)methyl]-1,2,4-thiadiazol-5-amine
CID 133512044
N-[(1S)-1-(2-bromophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 166178300

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine (CID 166292133) is N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine is FC1(F)Cc2c(Br)cccc2C1Nc1ncns1.
What is the InChIKey of N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is ZCJKABFDGURPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3S/c12-8-3-1-2-6-7(8)4-11(13,14)9(6)17-10-15-5-16-18-10/h1-3,5,9H,4H2,(H,15,16,17).
What are the key properties of N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine?
N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 332.17 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,2-difluoro-1,3-dihydroinden-1-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 166292133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).