2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

C9H12FNS — CID 58125084

IUPAC2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)C1CCc2sc(F)nc21
InChIInChI=1S/C9H12FNS/c1-5(2)6-3-4-7-8(6)11-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKeyDKEWEOPWITUSJZ-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.97
Rot. Bonds1

About 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole

2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 58125084) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID58125084
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)C1CCc2sc(F)nc21
InChIInChI=1S/C9H12FNS/c1-5(2)6-3-4-7-8(6)11-9(10)12-7/h5-6H,3-4H2,1-2H3
InChIKeyDKEWEOPWITUSJZ-UHFFFAOYSA-N
XLogP2.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[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

2-bromo-4,4-dimethyl-4H,5H,6H-cyclopenta[d][1,3]thiazole
CID 112623630
1-(2-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl)ethanone
CID 57907426
4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 89140365
2-fluoro-4-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 89729313
5-Butan-2-yl-4-(difluoromethyl)-2-methyl-1,3-thiazole
CID 134379644
5-(2-Fluorocyclohexyl)-2-methyl-4-propan-2-yl-1,3-thiazole
CID 142201070
2-(Difluoromethyl)-5-iodo-4,5-dimethyl-4,6-dihydrocyclopenta[d][1,3]thiazole
CID 167048182
5-Butan-2-yl-4-methyl-2-(trifluoromethyl)-1,3-thiazole
CID 177051356
5-Butan-2-yl-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 177051450
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 20811744
4,6-dimethyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
CID 23572843
6-ethyl-5-methanidyl-2-methyl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;rubidium(1+);yttrium
CID 57741223

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 58125084) is 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)C1CCc2sc(F)nc21.
What is the InChIKey of 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is DKEWEOPWITUSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c1-5(2)6-3-4-7-8(6)11-9(10)12-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 185.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 58125084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).