ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate

C15H14FNO2S — CID 169171819

IUPACethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cnc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C15H14FNO2S/c1-2-19-14(18)15(7-8-15)12-9-17-13(20-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyVPZUZTXLEFPHCT-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.54
Rot. Bonds4

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

ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate (PubChem CID 169171819) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
PubChem CID169171819
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Nameethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2cnc(-c3ccc(F)cc3)s2)CC1
InChIInChI=1S/C15H14FNO2S/c1-2-19-14(18)15(7-8-15)12-9-17-13(20-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3
InChIKeyVPZUZTXLEFPHCT-UHFFFAOYSA-N
XLogP3.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79472477
ethyl 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480052
ethyl 1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79480061
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
ethyl 1-(4-methylphenyl)cyclopropane-1-carboxylate
CID 105456293
cis-ethyl (1R,3R)-1-(4-fluorophenyl)-3-methylcyclohexane-1-carboxylate
CID 134964324
ethyl 1-(5-formylthiophen-2-yl)cyclopentane-1-carboxylate
CID 57221839
ethyl 1-([1,3]thiazolo[4,5-b]pyrazin-2-yl)cyclopropane-1-carboxylate
CID 106678097
2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167475514
ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79480035
ethyl 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]piperazine-1-carboxylate
CID 42581499
ethyl 4,4-dimethyl-1-(4-methylphenyl)cyclohexane-1-carboxylate
CID 15029983

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate (CID 169171819) is ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2cnc(-c3ccc(F)cc3)s2)CC1.
What is the InChIKey of ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate?
The InChIKey is VPZUZTXLEFPHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-2-19-14(18)15(7-8-15)12-9-17-13(20-12)10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3.
What are the key properties of ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate?
ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 169171819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).