1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate

C16H16FNO2S — CID 75467712

IUPAC1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)OC(=O)C1CC1
InChIInChI=1S/C16H16FNO2S/c1-9-14(10(2)20-16(19)12-3-4-12)21-15(18-9)11-5-7-13(17)8-6-11/h5-8,10,12H,3-4H2,1-2H3
InChIKeyUKFHWCWVSGJLQD-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.27
Rot. Bonds4

About 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate

1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate (PubChem CID 75467712) has the molecular formula C16H16FNO2S and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate
PubChem CID75467712
Molecular FormulaC16H16FNO2S
Molecular Weight305.37 g/mol
Exact Mass305.09
IUPAC Name1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate
SMILESCc1nc(-c2ccc(F)cc2)sc1C(C)OC(=O)C1CC1
InChIInChI=1S/C16H16FNO2S/c1-9-14(10(2)20-16(19)12-3-4-12)21-15(18-9)11-5-7-13(17)8-6-11/h5-8,10,12H,3-4H2,1-2H3
InChIKeyUKFHWCWVSGJLQD-UHFFFAOYSA-N
XLogP4.27
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate?
The IUPAC name of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate (CID 75467712) is 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate?
The canonical SMILES for 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate is Cc1nc(-c2ccc(F)cc2)sc1C(C)OC(=O)C1CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate?
The InChIKey is UKFHWCWVSGJLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2S/c1-9-14(10(2)20-16(19)12-3-4-12)21-15(18-9)11-5-7-13(17)8-6-11/h5-8,10,12H,3-4H2,1-2H3.
What are the key properties of 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate?
1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate has a molecular weight of 305.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl cyclopropanecarboxylate is sourced from PubChem (CID 75467712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).