(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate

C16H16FNO2S — CID 86919782

IUPAC(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCc1nc(COC(=O)C2CC2c2ccccc2F)cs1
InChIInChI=1S/C16H16FNO2S/c1-2-15-18-10(9-21-15)8-20-16(19)13-7-12(13)11-5-3-4-6-14(11)17/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyAUQAFVSRZIUQFQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.69
Rot. Bonds5

About (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate

(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 86919782) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID86919782
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate
SMILESCCc1nc(COC(=O)C2CC2c2ccccc2F)cs1
InChIInChI=1S/C16H16FNO2S/c1-2-15-18-10(9-21-15)8-20-16(19)13-7-12(13)11-5-3-4-6-14(11)17/h3-6,9,12-13H,2,7-8H2,1H3
InChIKeyAUQAFVSRZIUQFQ-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate (CID 86919782) is (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate is CCc1nc(COC(=O)C2CC2c2ccccc2F)cs1.
What is the InChIKey of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is AUQAFVSRZIUQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-2-15-18-10(9-21-15)8-20-16(19)13-7-12(13)11-5-3-4-6-14(11)17/h3-6,9,12-13H,2,7-8H2,1H3.
What are the key properties of (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate?
(2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 305.37 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,3-thiazol-4-yl)methyl 2-(2-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86919782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).