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

C7H6FNO2S — CID 105442456

IUPAC6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(s1)C(F)CC2
InChIInChI=1S/C7H6FNO2S/c8-3-1-2-4-5(3)12-6(9-4)7(10)11/h3H,1-2H2,(H,10,11)
InChIKeySECWZKVHNUTTLD-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.80
Rot. Bonds1

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

6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid (PubChem CID 105442456) has the molecular formula C7H6FNO2S and a molecular weight of 187.19 g/mol. Its IUPAC name is 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
PubChem CID105442456
Molecular FormulaC7H6FNO2S
Molecular Weight187.19 g/mol
Exact Mass187.01
IUPAC Name6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid
SMILESO=C(O)c1nc2c(s1)C(F)CC2
InChIInChI=1S/C7H6FNO2S/c8-3-1-2-4-5(3)12-6(9-4)7(10)11/h3H,1-2H2,(H,10,11)
InChIKeySECWZKVHNUTTLD-UHFFFAOYSA-N
XLogP1.80
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid (CID 105442456) is 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid is O=C(O)c1nc2c(s1)C(F)CC2.
What is the InChIKey of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
The InChIKey is SECWZKVHNUTTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2S/c8-3-1-2-4-5(3)12-6(9-4)7(10)11/h3H,1-2H2,(H,10,11).
What are the key properties of 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid?
6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 105442456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).