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

C9H12FNS — CID 89140365

IUPAC4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCC2F
InChIInChI=1S/C9H12FNS/c1-5(2)9-11-8-6(10)3-4-7(8)12-9/h5-6H,3-4H2,1-2H3
InChIKeyVSISYKXLENLGTD-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.22
Rot. Bonds1

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

4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (PubChem CID 89140365) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.

Molecular Properties

Compound Name4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
PubChem CID89140365
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole
SMILESCC(C)c1nc2c(s1)CCC2F
InChIInChI=1S/C9H12FNS/c1-5(2)9-11-8-6(10)3-4-7(8)12-9/h5-6H,3-4H2,1-2H3
InChIKeyVSISYKXLENLGTD-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The IUPAC name of 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole (CID 89140365) is 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole.
What is the SMILES notation for 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The canonical SMILES for 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is CC(C)c1nc2c(s1)CCC2F.
What is the InChIKey of 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
The InChIKey is VSISYKXLENLGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c1-5(2)9-11-8-6(10)3-4-7(8)12-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole?
4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole has a molecular weight of 185.27 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole is sourced from PubChem (CID 89140365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).