N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine

C12H11BrN2S — CID 79399487

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine
SMILESBrc1csc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C12H11BrN2S/c13-11-7-16-12(15-11)14-6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6H2,(H,14,15)
InChIKeyKCRIJGGUBIXDLT-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.66
Rot. Bonds3

About N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine (PubChem CID 79399487) has the molecular formula C12H11BrN2S and a molecular weight of 295.21 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine
PubChem CID79399487
Molecular FormulaC12H11BrN2S
Molecular Weight295.21 g/mol
Exact Mass293.98
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine
SMILESBrc1csc(NCC2Cc3ccccc32)n1
InChIInChI=1S/C12H11BrN2S/c13-11-7-16-12(15-11)14-6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6H2,(H,14,15)
InChIKeyKCRIJGGUBIXDLT-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278553
2-[[5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetic acid
CID 66407566
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-8-bromoisoquinolin-1-amine
CID 166382515
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 66419497
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 133383706
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-3-methylpyridin-2-amine
CID 79717972
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-2-chloroaniline
CID 66419693
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromo-5-methylaniline
CID 82757471
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromo-2,4-difluoroaniline
CID 102853360
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
6-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyrazine-2-carboxylic acid
CID 66450571
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-bromoethanamine
CID 114505182

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine (CID 79399487) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine is Brc1csc(NCC2Cc3ccccc32)n1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine?
The InChIKey is KCRIJGGUBIXDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2S/c13-11-7-16-12(15-11)14-6-9-5-8-3-1-2-4-10(8)9/h1-4,7,9H,5-6H2,(H,14,15).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine has a molecular weight of 295.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-1,3-thiazol-2-amine is sourced from PubChem (CID 79399487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).