2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate

C18H20FNO2S — CID 78782500

IUPAC2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1ncsc1CCOC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C18H20FNO2S/c1-13-16(23-12-20-13)7-10-22-17(21)18(8-2-3-9-18)14-5-4-6-15(19)11-14/h4-6,11-12H,2-3,7-10H2,1H3
InChIKeyQZOSDJAEQKTWCN-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate

2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate (PubChem CID 78782500) has the molecular formula C18H20FNO2S and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
PubChem CID78782500
Molecular FormulaC18H20FNO2S
Molecular Weight333.43 g/mol
Exact Mass333.12
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate
SMILESCc1ncsc1CCOC(=O)C1(c2cccc(F)c2)CCCC1
InChIInChI=1S/C18H20FNO2S/c1-13-16(23-12-20-13)7-10-22-17(21)18(8-2-3-9-18)14-5-4-6-15(19)11-14/h4-6,11-12H,2-3,7-10H2,1H3
InChIKeyQZOSDJAEQKTWCN-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate (CID 78782500) is 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate is Cc1ncsc1CCOC(=O)C1(c2cccc(F)c2)CCCC1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
The InChIKey is QZOSDJAEQKTWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2S/c1-13-16(23-12-20-13)7-10-22-17(21)18(8-2-3-9-18)14-5-4-6-15(19)11-14/h4-6,11-12H,2-3,7-10H2,1H3.
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate?
2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate has a molecular weight of 333.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)ethyl 1-(3-fluorophenyl)cyclopentane-1-carboxylate is sourced from PubChem (CID 78782500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).