2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole

C8H10BrNS — CID 112623630

IUPAC2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1(C)CCc2sc(Br)nc21
InChIInChI=1S/C8H10BrNS/c1-8(2)4-3-5-6(8)10-7(9)11-5/h3-4H2,1-2H3
InChIKeyONUWZXYMESWYNW-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.13
Rot. Bonds

About 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole

2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole (PubChem CID 112623630) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
PubChem CID112623630
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole
SMILESCC1(C)CCc2sc(Br)nc21
InChIInChI=1S/C8H10BrNS/c1-8(2)4-3-5-6(8)10-7(9)11-5/h3-4H2,1-2H3
InChIKeyONUWZXYMESWYNW-UHFFFAOYSA-N
XLogP3.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazol-2-amine
CID 45496802
2-bromo-4H,5H,6H-cyclopenta[d][1,3]thiazole
CID 9942463
2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125084
2-fluoro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 89729313
2-methyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125044
2-cyclopropyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125058
2-ethyl-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125059
2-bromo-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125076
2-iodo-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125099
2,4-Dimethyl-4-propan-2-yl-5,6-dihydrocyclopenta[d][1,3]thiazole
CID 58125146
2,4-di(propan-2-yl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125171
2-chloro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 58125185

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The IUPAC name of 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole (CID 112623630) is 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole is CC1(C)CCc2sc(Br)nc21.
What is the InChIKey of 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
The InChIKey is ONUWZXYMESWYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-8(2)4-3-5-6(8)10-7(9)11-5/h3-4H2,1-2H3.
What are the key properties of 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole?
2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole has a molecular weight of 232.15 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4-dimethyl-5,6-dihydrocyclopenta[d][1,3]thiazole is sourced from PubChem (CID 112623630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).