ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate

C15H16FNO2S — CID 79471532

IUPACethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccc(F)cc3s2)CCCC1
InChIInChI=1S/C15H16FNO2S/c1-2-19-14(18)15(7-3-4-8-15)13-17-11-6-5-10(16)9-12(11)20-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyAWWVCNQOMZJWTJ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.81
Rot. Bonds3

About ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate

ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate (PubChem CID 79471532) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
PubChem CID79471532
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Nameethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3ccc(F)cc3s2)CCCC1
InChIInChI=1S/C15H16FNO2S/c1-2-19-14(18)15(7-3-4-8-15)13-17-11-6-5-10(16)9-12(11)20-13/h5-6,9H,2-4,7-8H2,1H3
InChIKeyAWWVCNQOMZJWTJ-UHFFFAOYSA-N
XLogP3.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate (CID 79471532) is ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate is CCOC(=O)C1(c2nc3ccc(F)cc3s2)CCCC1.
What is the InChIKey of ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate?
The InChIKey is AWWVCNQOMZJWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-2-19-14(18)15(7-3-4-8-15)13-17-11-6-5-10(16)9-12(11)20-13/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate?
ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(6-fluoro-1,3-benzothiazol-2-yl)cyclopentane-1-carboxylate is sourced from PubChem (CID 79471532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).