2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C12H10BrNS — CID 79831749

IUPAC2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESBrc1ccccc1-c1nc2c(s1)CCC2
InChIInChI=1S/C12H10BrNS/c13-9-5-2-1-4-8(9)12-14-10-6-3-7-11(10)15-12/h1-2,4-5H,3,6-7H2
InChIKeyQFUNIYOHRDSWQR-UHFFFAOYSA-N
MW280.19 g/mol
LogP4.06
Rot. Bonds1

About 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 79831749) has the molecular formula C12H10BrNS and a molecular weight of 280.19 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID79831749
Molecular FormulaC12H10BrNS
Molecular Weight280.19 g/mol
Exact Mass278.97
IUPAC Name2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESBrc1ccccc1-c1nc2c(s1)CCC2
InChIInChI=1S/C12H10BrNS/c13-9-5-2-1-4-8(9)12-14-10-6-3-7-11(10)15-12/h1-2,4-5H,3,6-7H2
InChIKeyQFUNIYOHRDSWQR-UHFFFAOYSA-N
XLogP4.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromomethyl-4-methyl-2-phenyl-thiazole
CID 2795493
2-(3-Bromophenyl)-4-methyl-1,3-thiazole
CID 54593857
4-Methyl-2-phenyl-5-prop-1-en-2-yl-1,3-thiazole
CID 23723060
2,5-Dimethyl-4-phenylthiazole
CID 5028406
4-(4-Bromophenyl)-2-methyl-1,3-thiazole
CID 620138
5-Bromo-4-methyl-2-phenyl-1,3-thiazole
CID 2795494
4-Bromo-5-methyl-2-phenylthiazole
CID 16753235
5-Bromo-2-methyl-4-phenyl-1,3-thiazole
CID 3613557
1-[2-(4-Bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine hydrochloride
CID 53534952
5-Bromo-2,4-diphenyl-1,3-thiazole
CID 7537557
4-Bromomethyl-5-methyl-2-phenylthiazole
CID 9881828
4,5-Dimethyl-2-phenylthiazole
CID 12234742

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 79831749) is 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is Brc1ccccc1-c1nc2c(s1)CCC2.
What is the InChIKey of 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is QFUNIYOHRDSWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNS/c13-9-5-2-1-4-8(9)12-14-10-6-3-7-11(10)15-12/h1-2,4-5H,3,6-7H2.
What are the key properties of 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 280.19 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 79831749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).