2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole

C14H14BrNS — CID 79862990

IUPAC2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1(C)CCc2sc(-c3ccc(Br)cc3)nc21
InChIInChI=1S/C14H14BrNS/c1-14(2)8-7-11-12(14)16-13(17-11)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyRTYIMJUSPYNGKO-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.80
Rot. Bonds1

About 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole

2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 79862990) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
PubChem CID79862990
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1(C)CCc2sc(-c3ccc(Br)cc3)nc21
InChIInChI=1S/C14H14BrNS/c1-14(2)8-7-11-12(14)16-13(17-11)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3
InChIKeyRTYIMJUSPYNGKO-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole (CID 79862990) is 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole is CC1(C)CCc2sc(-c3ccc(Br)cc3)nc21.
What is the InChIKey of 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is RTYIMJUSPYNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/c1-14(2)8-7-11-12(14)16-13(17-11)9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 308.24 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 79862990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).